Density Functional Theory (DFT) is a cornerstone of materials science, yet executing DFT in practice requires coordinating a complex, multi-step workflow. Existing tools and LLM-based solutions automate parts of the steps, but lack support for full workflow automation, diverse task adaptation, and accuracy-cost trade-off optimization in DFT configuration. To this end, we present TritonDFT, a multi-agent framework that enables efficient and accurate DFT execution through an expert-curated, extensible workflow design, Pareto-aware parameter inference, and multi-source knowledge augmentation. We further introduce DFTBench, a benchmark for evaluating the agent's multi-dimensional capabilities, spanning science expertise, trade0off optimization, HPC knowledge, and cost efficiency. TritonDFT provides an open user interface for real-world usage. Our website is at this https URL. Our source code and benchmark suite are available at this https URL.

With the advent of quantum simulators, exploring exotic collective phenomena in lattice models with local symmetries and unconventional geometries is at reach of near-term experiments. Motivated by recent progress in this direction, we study a $\mathbb{Z}_2$ lattice gauge theory defined on a multi-graph with links that can be visualized as great circles of a spherical shell hosting the $\mathbb{Z}_2$ gauge fields. Elementary Wilson loops along pairs of these bonds allow to identify a dynamical gauge-invariant flux, responsible for Aharonov-Bohm-like interference effects in the tunneling dynamics of charged matter residing on the vertices. Focusing on an odd number of links, we show that this leads to state-dependent tunneling amplitudes underlying a phenomenon analogous to the Peierls instability. We find inhomogeneous phases in which an ordered pattern of the gauge fluxes spontaneously breaks translational invariance, and intertwines with a bond order wave for the gauge-invariant kinetic matter operators. Long-range order is shown to coexist with symmetry protected topological order, which survives the quantum fluctuations of the gauge flux induced by an external electric field. Doping the system above half filling leads to the formation of topological soliton/anti-soliton pairs interpolating between different inhomogeneous orderings of the gauge fluxes. By performining a detailed analysis based on matrix product states, we prove that charge deconfinement emerges as a consequence of charge-fractionalization. Quasiparticles carrying fractional charge and bound at the soliton centers can be arbitrarily separated without feeling a confining force, in spite of the long-range attractive interactions set by the small electric field on the individual integer charges.

The discovery of synthetically accessible organic semiconductors with exceptional performance remains a critical bottleneck in materials science. While these materials offer compelling advantages - structural modularity, mechanical flexibility, and cost-effective solution processing - for applications in photovoltaics and biosensors, identifying candidates that balance high efficiency with practical synthesis presents significant challenges. To address this challenge, we developed a high-throughput screening approach using 17 458 molecules from the PubChemQC B3LYP/6-31G*//PM6 dataset. Our strategy employs a composite metric, PCESAScore = PCE - SAScore, which systematically balances power conversion efficiency (PCE) predictions from the Scharber model against synthetic accessibility scores. This approach successfully identified seven multi-functional candidates that demonstrate both exceptional photovoltaic performance (PCE up to 36.1 %) and strong protein-binding affinity for biosensing applications. Notably, molecule 4550 emerged as the optimal candidate, exhibiting a ligand efficiency of 0.340 kcal/mol/heavy atom with 100 % target promiscuity. Our computational framework integrates machine learning, density functional theory, and molecular docking to bridge the gap between theoretical performance and experimental feasibility. These findings establish a systematic pathway for discovering synthetically compatible organic semiconductors that can simultaneously address energy conversion and molecular recognition challenges.

Functionally graded materials (FGMs) are composites whose composition or microstructure varies continuously in space, producing position-dependent mechanical and functional properties. In recent years, FGMs have gained significant attention due to advances in additive manufacturing, which enable precise spatial control of composition and orientation. However, their graded, aperiodic structure breaks the assumptions of Bloch's theorem, making first-principles electronic and electromagnetic calculations challenging. Here we develop an ab initio quantum theoretical framework for the electromagnetic properties of FGMs. Using a non-interacting electron model, we formulate a theory of modulated Bloch states, derive effective field equations, and solve them by proposing a generalized WKB (GWKB) method, an effective mass approximation, the Boltzmann equation, and numerical approaches. Our GWKB solution is not semiclassical but remains valid in the fully quantum regime. We show that effective observables such as conductivity, magnetic permeability, and electric permittivity generally do not admit a tensorial description in graded media, and that engineered orientational gradients enable precise control of Landau quantization. As a device example, we further develop a theory of graded p-n junctions with enhanced electronic tunability. This framework lays the quantum foundation for predictive design of graded composite materials, enabling AI-accelerated discovery of next-generation functional architectures.

EuAg$_4$Sb$_2$ is a model material to study the interplay of electronic and spin texture degrees of freedom, exhibiting numerous multi-$q$ magnetic textures coupled with the electronic properties. It is generally understood that some combination of conduction-electron mediated interactions, frustration, and higher order interactions are responsible for complex incommensurate spin textures in centrosymmetric lanthanide materials. Here, we refine an effective model of the magnetic interactions in EuAg$_4$Sb$_2$ through measurements of diffuse magnetic neutron scattering above the ordering temperature. These diffuse measurements reveal a ring of fluctuating spin modulations that reflects a manifold of nearly degenerate propagation vectors known as a spiral spin liquid (SSL). We further identify that this approximate $U$(1) symmetric SSL emerges from magnetic interactions mediated by a quasi-2D hole pocket and exhibits critical scaling of the spatial correlations. Further, Monte Carlo simulations reveal excellent agreement with experiment and provide a comprehensive understanding of the phase diagram. This study emphasizes the connection between the rich spin textures in this material, the electronic structure, and spin liquidity$\unicode{x2014}$uncovering new insights into design principles for nano-scale spin texture materials with advantageous intertwined electronic, magnetic, and topological properties, and new mechanisms for generating the physics of spiral spin liquids.

Mixed-state phases have recently attracted significant attention as a generalization beyond their pure-state counterparts. Prominent examples include mixed-state symmetry-protected topological (mSPT) phases and the strong-to-weak symmetry breaking (SWSSB) phases. It has been shown recently that mSPT phases admit a holographic dual description in terms of higher-order subsystem SPT phases. In this work, we investigate the mixed-state phases obtained by tracing out the bulk degrees of freedom of higher-order subsystem SPT phases protected by non-invertible symmetries. We find that the resulting mixed states exhibit the coexistence of the symmetry-protected topological order and SWSSB. We also use the interface as a probe to characterize the mixed state phases, and specifically, when there is no local modification to preserve the symmetries across the interface, the two sides of the interface are in distinct phases.

The Integration Host Factor (IHF) is a nucleoid-associated protein critical for both DNA compaction and biofilm stability. While its role in DNA packaging within the cell is well understood, its structural role in scaffolding biofilms is more puzzling and difficult to reconcile with its known DNA bending activity. Here, we investigated how IHF-DNA interactions are modulated across a pH spectrum mimicking the acidic microenvironments of bacterial biofilms. By performing all-atom calculations we discovered that low pHs lead to a change in protonation of IHF residues, which in turn exposes positively charged patches. We then conjectured that these positively charged residues could lead to intermolecular DNA bridging and tested this hypothesis through single-molecule and bulk assays. We discovered that while at physiological pH IHF mostly bends DNA, at pH < 5 there is clear evidence of IHF-mediated intermolecular crosslinking. Our results demonstrate that pH significantly modulates IHF-DNA interactions and explains the structural role played by IHF in supporting biofilm mechanics through intermolecular crosslinking.

We study the electronic properties of a linear trans-polyacetylene (tPA) molecule capacitively coupled to an external gate voltage $V_g$ of width $d$. We describe this system using the Takayama-Lin-Liu-Maki (TLM) model in the continuum, and analyze it within the Abelian bosonization formalism, which allows us to treat both electronic and lattice degrees of freedom and to incorporate the effects of repulsive Coulomb interactions among electrons. The global ground state describing simultaneously the electronic charge-density field as well as the lattice dimerization field of a tPA molecule is shown to consist of multikink solutions of a modified sine-Gordon equation for the charge-density field, which is controlled by $V_g$, the width $d$, and the Luttinger parameter $K$ encoding the strength of electron-electron interactions. These solutions belong to distinct topological sectors labeled by an integer invariant $q$ that simultaneously quantifies both the bound charge and the number of domain walls in the dimerization pattern induced at the gated region. Increasing $V_g$ drives a sequence of topological phase transitions characterized by abrupt changes in $q$. We further examine the effect of repulsive Coulomb interactions on the resulting topological phase diagram, and finally, we discuss the relevance of our findings for potential nanoelectronic devices based on gated tPA molecules.

We describe the structure of evolution equations for the relaxation toward a steady macroscopic nonequilibrium state. The evolution is characterized as the zero-cost flow for a nonequilibrium and nonlinear extension of the Onsager-Machlup action governing macroscopic dynamical fluctuations, thus following the intrinsic connection between macroscopic fluctuations and response. The approach hinges on two main elements: the principle of local detailed balance, which identifies the relevant thermodynamic forces, and the canonical decomposition of the frenesy into a Legendre pair. Notably, it is the time-symmetric component of the Lagrangian, the frenesy, that shapes the structure of the macroscopic evolution for given forcing. The results can be interpreted as a nonequilibrium generalization for relaxation to steady nonequilibrium conditions of the well-established GENERIC formalism, in which relaxation to equilibrium is described by a dissipative gradient flow superimposed on a Hamiltonian flow.

Palladium hydrides exhibit the largest isotope-effect anomaly in superconductivity: replacing hydrogen with heavier isotopes increases the superconducting critical temperature. Although this behavior is commonly attributed to strong anharmonic hydrogen vibrations, \textit{ab initio} treatments have so far incorporated anharmonic effects only through phonon renormalization, neglecting non-linear contributions to the electron-phonon interaction vertices. While such approaches reproduce the anomalous isotope trend, they severely underestimate the critical temperatures. Here, we show that non-linear electron-phonon coupling is essential in palladium hydrides. A straightforward inclusion of higher-order perturbative terms leads to a qualitative breakdown: the critical temperature is overestimated and the isotope anomaly is lost. We therefore adopt a non-perturbative framework based on an explicit evaluation of the ion-mediated electron-electron interaction, enabling anharmonic effects to be treated consistently in both the phonon spectra and the interaction vertices. Applied to PdH and PdD, it restores the anomalous isotope effect and brings calculated critical temperatures into significantly improved agreement with experiments.

The field-dependent magnetization of UTe$_2$ was measured through the metamagnetic transition at a variety of field angles, tracking how the step in magnetization evolves with fields tilted away from the $b$ axis. For fields oriented within the $ab$ plane, jumps in both $M_a$ and $M_b$ vanish approximately 18° away from the $b$ axis. From contactless conductivity measurements, we find that the halo-like high-field superconducting region extends to the $ab$ plane, where it exists only within a very narrow ($<$1°) angular range near the termination of the metamagnetic phase boundary and extends beyond the highest measured field of 73 T. As the field orientation tilts towards the $c$ axis, the superconducting and metamagnetic phase boundaries no longer coincide and exhibit distinct trends.

Competing electronic instabilities lie at the heart of emergent phenomena in quantum materials. In low-dimensional metals, Fermi-surface nesting can drive charge density wave (CDW) formation through a Peierls-like mechanism, while in strongly correlated systems, Kondo hybridization reconstructs the electronic structure by entangling localized moments with itinerant electrons. How these two fundamentally different instabilities interact$-$whether they coexist, compete, or mutually exclude each other$-$remains an open question. Here, we present suppression of charge density wave via the Kondo interaction in van der Waals material UTe$_3$. The angle-resolved photoemission spectroscopy (ARPES) data reveals Fermi surface nesting under similar conditions as seen in RETe$_3$ compounds. Despite that, no CDW is found in UTe$_3$ after an extensive search. We demonstrate that strong hybridization between U 5$f$ electrons and Te $p$ states reconstructs the low-energy electronic structure, removes the instability, and preempts CDW formation. Our results reveal a rare example where Kondo hybridization preempts density wave formation, offering a new route to controlling ordering phenomena in correlated 2D materials.

We introduce a spectral approach to characterizing the three-dimensional Edwards-Anderson spin glass. By analyzing the eigenvalue statistics of overlap matrices constructed from two-dimensional cross-sections, we identify a crossover from the Wigner semicircle law at high temperatures towards a Gaussian distribution, which is consistently attained near the spin-glass critical point. Visible for different distributions of the random coupling, the Gaussian distribution can potentially serve as a robust spectral indicator of criticality. Remarkably, the spectral density is well-described by Tsallis statistics, with the entropic index $q$ evolving from $q = -1$ (semicircle, $T=\infty$) to $q = 1$ (Gaussian) at $T_c$, revealing a statistical structure inside the paramagnetic phase. We find $q\le 1$ within numerical precision. While the local level statistics remain consistent with GOE statistics, reflecting standard level repulsion, the temperature dependence appears mainly in the global spectral density. Our results present spectral statistics as a computationally efficient complement to multi-replica correlator methods and provide a new perspective on cooperative and critical phenomena in disordered systems.

Controllable doping in AlN and its alloys is essential for deep-ultraviolet light sources. Ionization energies for donors in AlN ($\mathrm{Si_{Al}}$, $\mathrm{S_N}$, $\mathrm{Se_N}$) are high. We report first-principles calculations demonstrating that strain engineering can result in a reduction in ionization energies. The donor levels for $\mathrm{S_N}$ and $\mathrm{Se_N}$ shift closer to the conduction-band minimum (CBM) under in-plane tensile strains, driven by a downward shift of the CBM. The most widely used donor, $\mathrm{Si_{Al}}$, forms a $DX$ center in AlN. We find that a 2.5% in-plane tensile strain (which would be induced by pseudomorphic growth on GaN in experiment) shifts the ($+/-$) transition level from 271 meV to 98 meV below the CBM, which would enhance the electron concentration by three orders of magnitude. These results demonstrate that strain engineering offers an effective route to enhance doping levels in AlN.

Single-photon emitters in two-dimensional semiconductors offer a versatile platform for integrated quantum photonics, yet their performance is strongly influenced by local dielectric environments and substrate-induced disorder. Here, we examine SPEs in monolayer WSe$_2$ incorporated into hBN/WSe$_2$/Clinochlore van der Waals heterostructures and assess how interface-mediated dielectric modulation governs their optical and quantum characteristics. Low-temperature micro-photoluminescence reveals narrow emission lines (100 - 300 $\mu$eV) and robust non-classical behavior, with $g^{(2)}(0) = 0.13 \pm 0.02$ on SiO$_2$ and $0.54 \pm 0.02$ for emitters directly coupled to Clinochlore. Magneto-optical measurements yield effective g-factors near -8, consistent with defect states hybridized with dark excitons. WSe$_2$ on Clinochlore exhibits up to a fivefold enhancement in emission intensity, attributed to coupling with Fe-related substrate states that introduce resonant absorption near 1.75 eV. Kelvin probe force microscopy confirms strong dielectric contrast across thin and thick Clinochlore regions. Time-resolved photoluminescence shows that emitters on SiO$_2$ display a single $\approx 4$ ns lifetime, whereas those on Clinochlore exhibit biexponential dynamics with sub-nanosecond and tens-of-nanoseconds decay components. A phenomenological model incorporating coupling to bright and dark Fe-related states in Clinochlore accounts for modified excitation pathways. These results establish interface dielectric engineering in vdW heterostructures as an effective strategy for tailoring the radiative dynamics and brightness of quantum emitters in atomically thin materials.

Spin-crossover (SCO) metal-organic frameworks (MOFs) hold great promise for sensing, spintronics, and gas-related applications, however, only a small number of SCO-active examples are known among the thousands of MOFs already synthesized. Computational screening enhanced by machine learning offers a powerful route to uncover these hidden candidates much more rapidly than trial-and-error experiments. However, progress is limited by the computational complexity of obtaining accurate adiabatic energy differences, as these typically require separate geometry optimizations for both spin states, a process that is technically challenging, prone to convergence failures, and difficult to automate at scale. To mitigate these issues, we introduce a data-efficient strategy based on Quantile Regression Tree-based Active Learning, designed to navigate large chemical spaces while remaining robust to noisy and scarce labels obtained from unrelaxed geometries. After actively selecting a 200-sized subset of representative MOFs for electronic-structure evaluation, a Random Forest regressor trained on this data accurately identifies SCO-relevant candidates despite label noise, recovering 82% of true positives with only two false negatives. Applying the model to the unlabeled dataset yields a new collection of high-confidence SCO MOFs, which we denote pSCO-105. This work shows that spin crossover can be reliably identified from limited and imperfect data through smart training-set selection, enabling accelerated screening of SCO MOFs.

Within the framework of the random first-order transition theory of glasses, we discuss the statistics of thermal avalanches, the large scale rearrangements in driven amorphous systems near their instability. Stringy excitations yield nonPoisson waiting time statistics. Embedding these statistics in a generalized Master equation captures the nonMarkovian, aging dynamics of avalanche clusters. We apply this framework to analyze nonequilibrium signatures of thermal avalanches, auto correlation functions and effective temperatures, under both quasi static shear and stochastic shaking protocols. We use full counting statistics to derive the complete distribution of both the avalanche magnitudes and avalanche counts, uncovering the intermediate time behavior.

First-principles analysis of the spectroscopic signatures of correlated quantum materials poses significant challenges due to the interplay between spin-orbit and vibronic couplings, as well as the need to describe both dynamic and static electron correlation to reach decent accuracy. In this work, we apply the equation-of-motion coupled-cluster (EOM-CC) method to derive the spin-orbit-lattice entangled vibronic states and predict the Re $L_3$ edge resonant inelastic x-ray scattering (RIXS) spectra of Ba$_2$MgReO$_6$. The EOM-CC yields interaction parameters in close agreement with those extracted from RIXS spectra, with errors of less than 5\%. In particular, the EOM-CC method allowed us to determine the weak vibronic coupling to the $T_{2g}$ vibrations, which is difficult to address experimentally. The simulated spectra indicate that vibronic coupling to the $T_{2g}$ modes gives rise to a shoulder on the elastic peak. Going beyond the conventional treatment, which focuses solely on $E_g$ modes, we show that vibronic couplings to both $T_{2g}$ and $E_g$ modes are required to account for the fine structure of the RIXS spectra. This work demonstrates that the EOM-CC method is a powerful tool for accurately predicting the complex local states at metal sites and spectroscopic signatures of correlated insulating materials.

High-frequency terahertz (THz) detectors are vital for next-generation high-speed wireless communication systems. Graphene, with its high carrier mobility, broadband absorption, and weak electron-phonon coupling, offers great promise for ultra-fast THz photothermoelectric devices. Although graphene-based detectors in the infrared range have shown bandwidths above 500 GHz, extending their operation to the THz range is difficult because long-wavelength radiation does not efficiently couple to the small graphene area. To overcome this issue, THz antennas are often employed; however, their use typically limits system performance to only a few gigahertz due to parasitic effects. In this work, we present an antenna-coupled sub-THz graphene detector with a bandwidth exceeding 43 GHz. We optimized the detector design to minimize losses, match the antenna impedance to the 1 kOhm graphene channel, and maintain zero-bias operation. Importantly, we introduce a compact, turnkey packaged solution. Our results provide a practical route toward high-speed and low-power graphene THz detectors suitable for real-world communication and imaging applications.

Self-organization creates new order and shifts sub-boundaries while reorganizing energy and entropy within a control volume. This article examines pathway selection and tests whether maximizing the entropy generation rate can forecast process pathways. All entropy-generating processes distribute internal energy through temperature changes or structural responses, thereby creating new patterns or causing volume changes. Rapid self-organization, such as a supercooled liquid metal transforming into a solid, is a quasi-adiabatic process that tends to approach equilibrium or a steady state with respect to parameters like temperature. This is one of the main examples studied. Entropy generation is linked to internal energy redistribution, either as work performed (called stored work) or as thermal energy stored within a system. A system's resilience during and after self-organization is reflected in the emergence of measurable engineering properties. In the examples studied, the entropy generation rate is maximized throughout the process, regardless of the work needed to create new boundaries. Self-organization is a dissipative process, linked to pattern formation. The article discusses various patterns and shapes in physical systems, including grain size and morphology during thermo-mechanical deformation of crystalline solids, solid-liquid transformations, atmospheric effects, fluid-flow eddies, and patterned flight in birds that conserve energy within the framework of entropy-rate maximization. Morphological boundary limits are examined in terms of the ratio of the energy dissipation rate to the entropy generation rate for several examples. Processes can continue beyond an identifiable self-organizing phase, albeit with different time constants, thereby maintaining continuity and connectivity by maximizing the entropy-generation rate.

We analyzed quantum $XX$ and $ZZ$ coupling and state transfer in an all-to-all connected star array of capacitively coupled superconducting transmon qubits. It is shown that in a highly-connected system like this a variety of different $ZZ$ couplings arise that correspond to the different ways qubits can interact with each other, opening different channels for unwanted qubit crosstalk and thus qubit operation errors. We studied the dependence of both the $XX$ and the $ZZ$ coupling on qubit detuning that controls qubit-qubit interaction. The $XX$ coupling, quantified by the error state occupation probability, shows a $\Delta\omega^{-2}$ decay with qubit detuning $\Delta\omega$. On the other hand, all $ZZ$ coupling frequencies show spikes at values in the lower detuning region that correspond to resonances between qubit states and states out of the computational basis, after which all couplings quickly decay to zero as qubit detuning further increases. This allows to define an operational region where near-zero qubit coupling can be achieved. We derive equations for the couplings as a function of qubit detuning that agree with numerical results solving the Schrödinger equation.

We establish symmetry-based selection rules for the intrinsic nonlinear thermal Hall effect driven by the quantum metric in altermagnets. We show that a nonvanishing nonlinear thermal Hall conductivity $\kappa_{xyy}$ requires three conditions: (i) a nontrivial quantum metric, (ii) breaking of mirror symmetry $M_{x}$, and (iii) breaking of twofold rotational symmetry $C_{2}$. Using tight-binding models on a square lattice, we demonstrate that $d$-wave altermagnets naturally break $C_{2}$ through parity-mixing orbital hybridizations, while $g$-wave systems preserve $C_{2}$, forcing the response to vanish identically. Step-by-step Taylor expansions and explicit unitary matrix proofs establish these results. Our framework provides predictive power for material selection and lays the groundwork for nonlinear spin-caloritronic devices.

We demonstrate that Hilbert-space quantization in polariton lattices-manifested as multiple quantized energy levels in strongly confined sites-provides an unconventional route to realizing and manipulating different quantum phases. We show that nonlinear interactions transfer population into excited on-site quantum levels, which acts as an intrinsic dynamical channel controlling quantum coherence across the lattice. While weak nonlinearity confines polaritons to the lowest mode, yielding a robust superfluid phase with broken U(1) symmetry, strong nonlinearity induces phase diffusion through inter-level mixing. This dynamically generated fluctuations suppress global phase coherence and drives the system into a dynamical Bose-insulating phase. The changes between these phases occurs either as a nonequilibrium phase transition or a sharp crossover.

Layered materials are promising candidates for spintronic applications due to their unique electronic structures and spin transport properties. However, the strong anisotropic conductivity inherent in these materials complicates the quantitative evaluation of spin Hall conductivity and spin diffusion length. In this work, we present a comprehensive study of spin transport in a transition metal dichalcogenide PtTe$_2$ by combining a three-dimensional finite element model with nonlocal spin valve structures. We developed a theoretical model that treats an anisotropic spin diffusion in the same way as the conventional isotropic model, enabling the extraction of spin diffusion lengths along both the in-plane and out-of-plane directions. Our analysis revealed that the conventional isotropic assumption tends to overestimate some values, particularly for the out-of-plane spin diffusion length and spin Hall conductivity. These findings provide new insight into anisotropic spin diffusion and spin-charge conversions in layered materials and emphasize the importance of accounting for anisotropic conductivity in the design of spintronic devices.

Using experiments on a colloidal particle trapped in an optical tweezer, we confirm a recent proposal to increase the effective mobility or clock rate of systems described by Langevin dynamics, by simultaneously scaling deterministic forces and adding external noise. A corollary, which we also confirm experimentally, is that a system driven out of equilibrium by a time-dependent protocol can remain closer to thermal equilibrium. As an application, we demonstrate more precise recovery of free-energy differences from nonequilibrium work relations. Langevin clock rescaling provides a general strategy for accelerating calculations in the emerging field of thermodynamic computing, which uses stochastic devices governed by Langevin dynamics to do low-energy calculations.

Lattice vibrations can carry angular momentum and magnetic moments under broken inversion or time-reversal symmetry, forming so-called chiral phonons. While such excitations have been explored in nonmagnetic systems via optical probes, their direct detection in magnetic materials and coupling to spin excitations remain largely unexplored. Here, using neutron spectroscopy, sensitive to both nuclear and magnetic scattering, we reveal the magnetic signature of chiral phonons in ferrimagnetic Fe$_{1.75}$Zn$_{0.25}$Mo$_3$O$_8$ with Curie temperature $T_{\rm C}\sim49$ K. Below $T_{\rm C}$, we observe enhanced magnetic scattering of phonons at small momenta, arising from strong magnon-phonon coupling. In addition, out-of-plane intensity modulation, phonon mode splitting, and field-induced Zeeman shifts are observed, all closely associated with the ferrimagnetic order. These features vanish above $T_{\rm C}$, where phonon spectra are dominated by nuclear scattering. These observations demonstrate the existence of chiral phonons carrying substantial magnetic moments that directly contribute to magnetic scattering, and establish neutron spectroscopy as a powerful, momentum-resolved probe of their magnetic character.

Electron-boson coupling is central to a comprehensive understanding of the diverse physical phenomena emerging from many-body interactions. Yet less attention has been paid to how plasmons, collective bosonic modes of electron density oscillation, interact with conduction electrons and how external parameters can tune this interaction. Here, we present a clear display of composite quasiparticles stemming from electron-plasmon coupling, known as the plasmonic polaron, in self-intercalated 1T-TiS2, by using angle-resolved photoemission spectroscopy (ARPES), high-resolution electron energy loss spectroscopy (HR-EELS) and first-principles calculations. The single particle spectral function exhibits a distinctive plasmon-loss satellite with the same characteristic energy scale determined by HR-EELS measurements. The bosonic energy scale of plasmonic polaron is tunable by controlling charge carrier density and temperature, distinguishing itself from conventional polarons arising from electron-phonon interactions. Furthermore, we find that the dielectric screening strongly affects the formation of the plasmonic polaron states. Our findings provide direct spectroscopic evidence of plasmonic polarons and establish self-intercalated layered materials as a promising platform for studying, controlling, and harnessing plasmonic interactions in quantum materials.

The Berry curvature dipole induced by symmetry breaking play a pivotal role in electronic transport properties and nonlinear responses, such as the nonlinear Hall effect and circular photogalvanic effect. The study of the Berry curvature dipole, often explored in time-reversal symmetric systems, but it should not be limited to such materials. Here, we predicted that the ferroelectricity in monolayer CrNBr2 produces Berry curvature dipole, leading to the nonlinear Hall effect and circular photogalvanic current. The linear anomalous Hall effect and circularly polarized optical absorption, governed by spin-orbit coupling, are independent of ferroelectric polarization and exhibit extremely small conductance. In contrast, multiferroic monolayer CrNBr2 achieves a large nonlinear Hall conductivity and circular photogalvanic current, despite its suppression at high temperatures from phonon scattering. The coupling between the ferroelectric polarization and the Berry curvature dipoles allows for nonvolatile switching of these effects, presenting substantial promise for nanoelectronic and optoelectronic devices.

We present the x-ray magnetic circular dichroism (XMCD) at the Ni $L_{2,3}$-edge as an evidence of the $d$-wave altermagnetism in rutile-structure NiF$_2$. Sizable XMCD signal is observed in excellent agreement with theoretical simulations. Owing to a considerable net magnetization due to spin canting, the XMCD spectrum consists of an altermagnetic signal as well as a non-negligible ferromagnetic contribution. We verify experimentally that the XMCD spectrum can be written as a sum of contributions from altermagnetism and weak ferromagnetism. Two experimental methods to isolate the ferromagnetic contribution are shown to yield essentially the same result. These are dependence of XMCD on applied magnetic fields below the Néel temperature and the XMCD measured in applied field above the Néel temperature. Our results demonstrate the utility of XMCD as a probe for altermagnetic materials with the coexisting weak ferromagnetism induced by the relativistic spin-orbit coupling.

We investigate quantum transport in a hybrid system composed of two quantum dots (QDs) coupled through a pair of spatially separated Majorana zero modes (MZMs) with negligible coupling energy. We focus on nonlocal correlations mediated by the MZMs, particularly the role of Coulomb interaction U between the QDs and the Majorana wire. Using the numerically exact fermionic dissipation equation of motion (DEOM) method, we compute both the transient current and the current-current cross-correlation noise spectrum. In the non-interacting case (U=0), destructive interference between the degenerate normal tunneling and anomalous tunneling channels suppresses electron teleportation between the dots. Introducing a finite Coulomb interaction $U$ lifts this channel degeneracy, enabling strong nonlocal correlations and inter-dot electron teleportation. This effect manifests as a robust signal in the cross-correlation noise spectrum, which is significantly stronger than that induced by a finite Majorana coupling energy $\varepsilon_{M}$. Our findings propose Coulomb interaction as an efficient and experimentally accessible control parameter for generating and detecting Majorana-mediated nonlocal transport in the topologically relevant long-wire limit ($\varepsilon_{M}\rightarrow0$).

Motivated by recent theoretical and experimental works on orbital magnetization $M_{\mathrm{orb}}$ for the interacting system, we develop a gauge-invariant framework to compute $M_{\mathrm{orb}}$ for correlated phases of magic-angle twisted bilayer graphene within self-consistent Hartree-Fock approximation. Based on the projector formulation of the theory of orbital magnetization, we evaluate both $M_{\mathrm{orb}}$ and the self-rotation contribution $m_{\mathrm{SR}}$ directly from the Hartree-Fock Hamiltonian. We demonstrate that, in contrast to topological invariants such as the Chern number, both $M_{\mathrm{orb}}$ and $m_{\mathrm{SR}}$ obtain substantial contributions from remote bands and thus require careful convergence with respect to the number of included remote bands. Applying this approach to correlated phases at integer fillings, we obtain converged $M_{\mathrm{orb}}$ and $m_{\mathrm{SR}}$ for time reversal symmetry broken Chern insulating states at $\nu=\pm3$ and for competing correlated phases at other integer fillings. Our results establish a systematic and controlled approach for evaluating orbital magnetization in correlated moiré systems and clarify the crucial role of remote bands in determining their magnetic response.

We performed $^{85}$Rb nuclear magnetic resonance (NMR) measurements on the $S$ = 1 bilayer triangular-lattice antiferromagnet Rb$_2$Ni$_2$(SeO$_3$)$_3$ in magnetic fields up to 26 T. In the field range from 3 T to 26 T, the NMR spectral lines split and their respective spectral weight ratios reveal the existence of the magnetic up-up-down (UUD) phase, although the 1/3-plateau phase is only reached at fields above 16 T. Two distinct gapless regimes are further identified: one at low fields and low temperatures, and the other at high fields and high temperatures, consistent with the spin supersolid Y and V phases. Notably, the UUD-V phase boundary exhibits a negative slope in $dT/dH$, where the supersolid phase is located at temperatures above the solid phase due to strong low-energy spin fluctuations.

Coherent coupling between microwave cavity photons and magnon excitations enables quantum transduction, magnon-mediated entanglement, and magnon number-resolved detection. Micromagnetic simulation of photon-magnon coupling typically requires either modifying the core solver or implementing a full electromagnetic solver. Here we present a two-tier cavity magnonics extension for mumax+, a GPU-accelerated open-source micromagnetic framework. The first tier consists of CUDA kernels that integrate N cavity-mode ODEs simultaneously with the LLG equation inside the GPU-based RK45 adaptive time-stepper, eliminating per-step GPU-CPU transfers; spatially resolved mode profiles enter both the coupling and the feedback, enabling selective addressing of non-uniform spin-wave modes. The second tier is a lightweight Python co-simulation class that reproduces the same uniform-mode physics through operator-split RK4 integration without recompilation. We validate the implementation with eight benchmark simulations: (i) magnon-polariton anticrossing spectra, (ii) vacuum Rabi oscillations, (iii) the cooperativity phase diagram spanning weak-to-strong coupling regimes, (iv) cavity mode-profile-dependent coupling selection rules, (v) multi-mode polariton hybridization with magnon-mediated cavity-cavity energy transfer, (vi) mode-selective coupling via spatial overlap engineering, (vii) antiferromagnetic magnon-cavity coupling with Neel-vector spectroscopy, and (viii) abnormal anticrossing from dissipative photon-magnon coupling, demonstrating the transition from level repulsion to level attraction.

Hydrogen (H) content modifies the creep response of Fe-based alloys by altering thermodynamics of point-defects; here we identify the electronic-structure mechanism underlying this effect. Using spin-polarized first-principles calculations combined with a cluster dynamics formulation, we establish a general framework linking H-assisted vacancy stabilization to diffusion-mediated creep in BCC Fe, FCC Fe, and chemically complex FCC Fe-Cr-Ni alloys. H-vacancy binding analysis shows that H-stabilized vacancies form at low hydrogen content in BCC Fe but require much higher chemical potentials in FCC Fe and Fe-Cr-Ni alloys due to broader d-bands, electronic screening, and chemical disorder. Consequently, plastic deformation mediated by diffusive processes is expected to be far more strongly impacted in BCC Fe than in FCC alloys. These electronic-controlled trends determine steady-state vacancy populations and provide a symmetry-resolved microscopic basis for H-assisted creep in ferritic and austenitic steels.

Domain wall (DW) motion is a crucial process involved in magnetization reversal, be it under magnetic field or spin-polarized current stimulus. In most cases DW speed does not exceed $\approx$100m/s and collapses above a given threshold of the stimulus, an effect known as Walker breakdown. A few specific material properties have been identified to delay the breakdown of speed by increasing the energy barrier preventing internal precession. We show that in a 3D nanomagnetic system, here with vortex-state domains, the topology of the magnetization distribution may intrinsically and robustly delay the Walker breakdown due to an exchange-spring effect. In addition, curvature induces a major non-reciprocal effect, delaying or not the Walker breakdown depending on the chirality of the azimuthal domain versus the direction of motion of the DW.

Parylene C thin films have significant applications in advanced packaging of microelectronics. Their thermal properties are critical for thermal management of electronic devices. However, a unified understanding of the tunable structure and the corresponding thermal conductivity is still missing. This study investigated parylene C thin films of varying thickness and post-annealing temperatures grown via thermal chemical vapor deposition. The ultralow thermal conductivity of as-deposited parylene C measured by time domain thermoreflectance (TDTR) is 0.10 W/m-K. The thermal conductivity can be tuned by post-annealing. Significant increase in thermal conductivity is observed in the annealed samples (0.18 W/m-K) which induces melting and recrystallization. The results of XRD and polarized Raman spectroscopy show that the enhanced thermal conductivity is due to improved crystalline quality and the change in chain orientations. The measured thermal conductivities of the as-deposited and annealed films are much lower than the values predicted by the Cahill minimum thermal conductivity model, which can be explained by the diffuson-mediated minimum thermal conductivity model. Parylene C is found to possess the lowest thermal conductivity among dense low-k materials. Our work provides guidance for the structural design of ultra-low thermal conductivity polymers and corresponding thermal design of electronics.

Since its discovery, the study of magnetic skyrmions has been on the rise. In this paper, we discuss our investigations on the light-induced mechanisms for skyrmion generation in a centrosymmetric triangular magnetic lattice with competing $J_1$-$J_3$ interactions, and easy-axis anisotropy. We solve the stochastic Landau-Lifshitz-Gilbert equation for the lattice spin dynamics under Laguerre-Gaussian beam irradiation. Numerical results show that skyrmions are nucleated in two thermodynamic regions, each favoring different phases: the ferromagnetic phase and the skyrmion-lattice phase. In the ferromagnetic region, isolated skyrmions are generated mainly through stochastic thermal nucleation. In this regime, higher temperatures and larger beam widths are required to overcome the nucleation barrier. In contrast, in the skyrmion-lattice region, skyrmion nucleation occurs via thermal annealing, where the system relaxes toward its true ground state. These findings establish a comprehensive theoretical framework for optimizing optical control to generating light-induced skyrmionic textures in frustrated magnets.

Coulomb blockade (CB) arises in nanoscale systems with ultra-small capacitance, where discrete charging effects dictate electron transport, enabling wide-ranging applications based on single-electron transistors. Despite established electrostatic control of charge states in quantum dots and nanoislands, a rigorous quantitative link between junction parameters and the CB spectrum remains elusive. Here, using scanning tunneling spectroscopy, we investigate the spatial variation of CB in indium nanoislands on semiconducting black phosphorus. We observe spatially dispersive charging resonances whose trajectories exhibit a finite shift of the symmetry axis in bias as well as a pronounced asymmetric curvature. By comparing the experimental results with calculations based on orthodox theory, we show that these features originate from work function differences in the junctions, underscoring the importance of junction-specific electrostatics in nanoscale charge transport.

When colloidal particles are vertically confined to a gap of between 1.3-1.6 particle diameters, they pack into buckled crystals of particles in either "up" or "down" states. Neighboring particles tend to occupy opposite states, analogous to the behavior of antiferromagnetic spins. The particles sit on a nearly-triangular lattice, and the spins of trios of adjacent particles are geometrically frustrated. Two levels of translational order exist in this system: that of the underlying triangular lattice in the horizontal plane, and that of the emergent frustrated spin lattice in the vertical dimension. We study the topological defects of both levels of translational order, and we find that both types of defects play a role in crystal grain boundary structure and spin domain coarsening. We classify the spin defects and outline the basic rules for their motion, and we observe interactions between dislocations and spin defects. Finally, we map the phase space of spin coarsening in the buckled monolayer, characterizing which types of defects drive the dynamics. Understanding defect formation, motion, and interaction in the buckled monolayer is the first step in predicting the material properties and aging of this geometrically frustrated, self-assembled system.

We resolve the phase diagram of the $S=1$ pyrochlore spin ice, which exhibits trivial paramagnetic, U(1) Coulomb, and spin nematic phases. In the monopole-free limit, the system can be effectively mapped onto 3D $XY$ and Ising loop-gas models depending on the spin anisotropy, which provides theoretical estimates for the phase boundaries, while a macroscopic flux vector classifies the topological sectors via geometric parity rules. At finite temperatures, thermal monopoles act as a symmetry-breaking field in the continuous $XY$ wave picture and topologically sever defect strings in the loop-gas picture, rounding the phase transitions into continuous crossovers. These theoretical findings are corroborated by classical Monte Carlo simulations.

Regulation of contraction in striated muscle is controlled by a dual mechanism involving both thin filaments containing actin and thick filaments containing myosin. The thin filament is activated by calcium ions binding to troponin, leading to tropomyosin azimuthal displacement which allows the activation of a regulatory unit (composed of one troponin, one tropomyosin and seven actin monomers) that exposes the actin sites for interaction with the myosin motors. Motor attachment to actin contributes to spreading activation within and beyond a regulatory unit along the thin filament through a cooperative mechanism. We introduce a one-dimensional Ising model to elucidate the mechanism of cooperativity in thin filament activation in relation to the force generated by the attached myosin motor. The model characterizes thin filament activation and cooperativity using only two parameters: one related to calcium concentration and the other to the force exerted by the attached myosin motor, which is modulated by temperature. At any force, the model is able to determine the extent of actin-myosin interactions on a correlation length ranging from two to seven actin monomers in addition to the seven actin monomers of the regulatory unit. Our theoretical predictions are successfully tested on experimental data, and our tests also include the condition of hindered filament activation by the use of the specific drug Omecamtiv Mecarbil (OM). According to our model, the effect of OM results in an anti-cooperativity mechanism accounting for the experimental data.

Remote plasma-assisted vapour deposition under nitrogen (RPAVD-N2) is introduced as a single-step, solvent-free, room-temperature strategy to integrate iron(II) phthalocyanine (FePc) into carbon nanofiber (CNF) scaffolds for high-performance pseudocapacitive electrodes. In this process, CNFs are activated by low-energy N2 remote plasma and subsequently exposed to sublimated FePc, which undergoes controlled plasma polymerisation to form conformal, nitrogen-rich FePc-derived coatings while preserving Fe-N coordination. By tuning the plasma power, the degree of crosslinking, defect generation and molecular fragmentation is precisely controlled. Structural and spectroscopic analyses reveal progressive incorporation of amine, nitrile and oxygenated functionalities while maintaining the Fe-N coordination environment, with 30 W power providing the optimal balance between structural integrity and defect density. Plasma processing enhances the capacitance by nearly one order of magnitude compared to sublimated FePc films, underscoring the critical role of plasma-induced molecular integration. The FePc30W@CNFs electrode delivers 80.9 F/g at 0.25 A/g (areal capacitance 0.92 mF/cm2 at 2.9 mA/cm2), achieves 7.42 Wh/kg at 225 W/kg, and retains 86.5% of its initial capacitance after 6000 cycles. These results demonstrate that remote plasma polymerisation enables robust, high-rate and durable phthalocyanine-based electrodes, establishing RPAVD as a scalable platform for next-generation energy-storage materials.

Competing electronic phases in two-dimensional transition metal dichalcogenides constitute a fertile platform for uncovering emergent ground states and elucidating the control parameters that govern the correlated electron phases. Among these materials, vanadium diselenide is particularly compelling: while the bulk hosts a well-established charge density wave (CDW), monolayers exhibit markedly different electronic behavior. Here, we identify three distinct electronic regimes in mechanically exfoliated VSe$_2$ flakes on Au(111) substrates, where interfacial hybridization, charge transfer, and strain act as primary tuning parameters of electronic order. Monolayers strongly coupled to gold show complete suppression of the CDW, accompanied by the emergence of moiré modulations. In contrast, bilayers preserve the in-plane $4a \times 4a$ CDW characteristic of the bulk limit. Strained, electronically decoupled monolayers formed in suspended membrane and bubble regions stabilize a $\sqrt{3}a\times\sqrt{7}a$ CDW phase, underscoring the reversible role of substrate interaction and hybridization.

Chiral edge states in Chern insulators are theoretically predicted to propagate unidirectionally along the sample boundary with inherent robustness against local perturbations, which manifests as the immunity to impurity-induced backscattering, a key factor for the development of robust, high-performance quantum devices. However, the direct experimental verification of the robustness of chiral edge states remains scarce. Here, we experimentally validate the robustness of the chiral edge states in MnBi2Te4 devices featuring engineered geometric defects introduced via atomic force microscope (AFM) nanomachining. Specifically, under a moderate perpendicular magnetic field, the MnBi2Te4 devices exhibit the Chern insulator state, characterized by a quantized Hall plateau and simultaneously vanishing longitudinal resistance. To verify the robustness of this topological state, we modify the device geometry by cutting a slit using AFM nanomachining that severs the original edge channel. Remarkably, the quantization behavior survives this drastic modification. The robust nature of the chiral edge transport is further confirmed by two-terminal, three-terminal and non-local measurements, fully demonstrating that the edge currents can bypass the artificial cut without dissipation. Our results unambiguously demonstrate the robustness of chiral edge states against geometric disruption and establish AFM nanomachining as a promising technique for topological quantum devices engineering.

Two-dimensional tin halide perovskites provide a highly tunable platform for exciton phonon coupling and local lattice distortions, enabled by their intrinsically soft lattice. We report a combined temperature and pressure dependent photoluminescence study of the layered perovskite (4FPEA)$_{2}$SnBr$_{4}$. At room temperature, its optical response is dominated by near band edge (NBE) excitons, which redshift linearly under hydrostatic pressure up to $\sim$3 GPa, indicating a rigid band edge behavior without phase transitions. Cooling reveals a broad, strongly Stokes shifted self-trapped exciton (STE) emission, evidencing a crossover from delocalized to self localized excitonic states. Strikingly, while NBE emission redshifts under pressure, STE emission exhibits an anomalous blueshift, reflecting pressure induced modification of the exciton phonon energy landscape. In contrast, the iodide analogue (4FPEA)$_{2}$SnI$_{4}$ shows no STE emission under identical conditions, highlighting the critical role of lattice rigidity and dielectric screening in stabilizing self-trapped excitons.

Spintronic nano-neurons offer a promising route towards energy-efficient, high-performance hardware neural networks thanks to their inherent low-input nonlinear dynamics. However, training such networks remains a major bottleneck as it depends on oversimplified models of device behaviour and is highly sensitive to device variability. Here, we introduce a hardware architecture that overcomes these limitations by enabling on-device generation of gradients. First, we introduce theoretically and demonstrate experimentally that magnetic tunnel junctions can generate tunable and complex nonlinear responses. Building on this, we implement an analogue finite-difference approach to enable on-chip training in spintronic neural networks with one and two hidden layers. We experimentally implemented device in the loop backpropagation in a magnetic tunnel junction based neural network, achieving a classification accuracy of 93.3% despite pronounced device variability. During training, the gradients generated by the proposed analog neurons closely match the values derived numerically, without incurring computational overhead. Via physical simulations, we also demonstrate that this approach can be scaled up to support training in deep architectures. Our results pave the way for reliable, trainable and fully analogue spintronic neural networks, opening up new possibilities for next-generation, energy-efficient artificial intelligence hardware.

Electronic phases in quantum materials are often governed by nanoscale inhomogeneity, where local order develops within spatially confined regions or puddles. A prominent example is an incommensurate charge-density-wave (I-CDW) that comprises locally commensurate domains. In 2$H$-NbSe$_2$, such an I-CDW state persists alongside lattice anharmonicity and superconductivity, raising fundamental questions about the dynamical stabilization of CDW order in puddles. Here, we probe the puddle-dynamics in 2$H$-NbSe$_2$. Raman scattering reveals a strong Fano-coupling between the interlayer shear vibration and the CDW amplitude mode. Time-resolved reflectivity measurement shows a low-frequency ~0.15 THz coherent overdamped oscillation onsetting within the CDW regime at ~17 K, pointing towards a so far unexplored transition. This we identify as a Fano-coupled phonon-CDW hybrid emerging from the collective dynamics of CDW puddles. These dynamics highlight how lattice pinning and electronic correlations in layered materials affect the CDW order, which is crucial for the design of novel Van der Waals devices.

Persistent spin textures (PST) are spin-orbit coupled states in which Bloch spinors become momentum independent due to an underlying symmetry constraint, leading to the complete suppression of conventional and Zeeman quantum geometric quantities. This makes accessing their intrinsic geometric structure experimentally challenging. Here, we show that the spin-rotation quantum geometric tensor (SRQGT) provides the missing probe. Using a two-dimensional electron gas and a cubic spin-splitting system as representative PST platforms, we demonstrate that the SRQGT remains finite and momentum independent and generates a measurable nonlinear gyrotropic current. The smoking-gun signature of PST is a fully direction-independent nonlinear gyrotropic response: magnetic currents coincide in magnitude and display identical parametric variations. These results establish PST systems as minimal platforms for isolating pure spin-rotation quantum geometry.

The conventional description of transport through the interface between a normal conductor and a superconductor reduces the system to a one-dimensional problem treating Andreev reflection based on a zero-dimensional Sharvin type point-contact model, and effectively neglects all considerations of device geometry. While this has been successful in systems where conductance in the normal material is in the diffusive transport regime, such an over-simplification of the problem fails in other transport regimes. In particular, when transport is ballistic as in a typical semiconductor-superconductor hybrid structure, geometrical effects are inherently important, and a proper description must consider a one-dimension contact injecting into a two-dimensional ballistic cavity. We present the first study of this regime and explore the bias-voltage dependence of Andreev transport in a cavity-type device comprised of a high mobility HgTe quantum well side-contacted by one superconducting and one normal contact, each creating a one-dimensional interface. The enhanced conductance from Andreev transport features two finite bias conductance peaks, observed at energies within the energy gap of the superconductor. Interestingly, these two peaks respond differently to the application of a perpendicular-to-plane magnetic field. Using a semi-classical model for the quantum transport within the cavity, we are able to attribute each peak to a different class of ballistic trajectories. One class is dominated by normal reflection, and its interference condition is independent of magnetic field, whereas the other one contains retro-reflected Andreev processes at the superconductor interface. These create closed trajectories that are strongly suppressed by magnetic field due to Aharonov-Bohm and Doppler shift effects.

Tracer-media interactions can give rise to transport phenomena beyond classical models; e.g., obstacle pushing can eliminate percolation. We demonstrate that the existing explanation of this effect fails in 3D. We show that confinement is governed by emergent trapping-rare door-closing events with constant probability per step-yielding exponential survival. This allows prediction of the time-dependent mean-squared displacement from short-time estimates of the diffusion constant and trapping probability, providing a minimal description of pushing-induced arrest across lattices and dimensions.

Mermin's dielectric function [N.D. Mermin, Phys. Rev. B 1, 2362 (1970)] is widely assumed to satisfy the f-sum rule because he constrains his ansatz with the continuity equation. However, we identify a moment-closure problem in Mermin's use of the continuity equation. Further, we show that the Mermin's model can be derived without invoking continuity. We describe how other approaches such as the ``completed Mermin'' model of Chuna and Murillo [Phys. Rev. E 111, 035206 (2025)] remedy this closure issue. We then inspect the f-sum rule for both the original and completed Mermin models and find for the Mermin ansatz that collision frequencies scaling as $\omega$ must violate the f-sum rule, whereas constant, real, positive collision frequencies will satisfy it, with the caveat that, in practice, convergence with respect to the upper integration limit $\omega_{\max}$ is sufficiently slow that finite-domain numerical evaluations exhibit apparent violations, regardless of wavenumber $q$. We also find that collision frequencies with constant imaginary components cause f-sum rule violations. We conclude that if Mermin's model is fit to data via optimizing its collision frequency, then the f-sum rule is not inherently satisfied; constraints, though broad, are needed in order to assume the f-sum rule is satisfied. Further, if the f-sum rule is theoretically satisfied, but violations still appear, then these deviations ought to be included in the error estimates.

Soft matters whose constituents are deformable are ubiquitous in nature especially in biological systems-including cells and their organelles-as well as in foams and emulsions. The capacity for deformation in these soft materials gives rise to a range of intriguing phenomena, such as glassy behavior without any size dispersity, cluster crystal formation, and re-entrant melting. Deformability also plays a crucial role in facilitating essential biological processes, such as the flow of blood through veins and arteries. In this work, we investigate assemblies of two-dimensional (2D) polymeric, non-overlapping rings, which mimic deformable particulates in 2D using extensive molecular dynamics simulations. The rings are confined in a rectangular channel with hard walls perpendicular to the flow direction, mimicking natural flow conditions. We analyze the flow properties of these deformable particle assemblies at two different stiffness values. To further asses the impact of deformability, we examine the same monodisperse system at higher densities for the stiffer rings, where deformation is necessary and a fluid layer emerges at the channel edges. Finally, we explore a mixture of rings with two distinct stiffnesses and observe effective segregation of soft and hard particles at small channel widths.

In this work, we employ a machine-learning-assisted high-throughput density functional theory framework to systematically investigate the stability, electronic structure, and magnetic ground states of 234 M$_4$X$_3$T$_x$ MXenes. The machine learning model predicts lattice parameters with up to 94% accuracy using a relatively small training dataset and significantly reduces structural optimization time in high-throughput calculations. Based on total energy and density-of-states analyses, we classify the magnetic nature of MXenes across different transition- metal compositions and surface terminations. Ti-, Zr-, Hf-, Nb-, and Ta-based MXenes are found to be non-magnetic metals for all functional groups considered, while Sc- and Y-based systems exhibit a range of behaviors including weak ferromagnetism and semiconducting character. V- and Fe-based MXenes are identified as antiferromagnetic metals, whereas Cr- and Mn-based MXenes yield 16 ferromagnetic systems with spin polarization ranging from 50% to 100%.

We investigate the spin dynamics of the non-collinear kagome triangular anti-ferromagnets Mn$_3$Rh using linear response time-dependent density functional theory. To this end, we present a novel first principles approach relying on the evaluation of dynamical susceptibility based on the non-collinear KKR Green's functions method. This approach enables us not only to treat spin and charge dynamics on an equal footing but also address the Landau damping of spin waves being inaccessible to adiabatic methods. Our calculations reveal three distinct Goldstone modes dispersing linearly in the long-wavelength regime. We discuss their non-trivial polarizations and proceed to an in-depth analysis of their Landau damping. The spin-waves turn out to be defined in the whole Brillouin zone but their damping become substantial away from the zone's center.

Advances in epitaxy of transition metal oxides with perovskite structure allow novel insights into transport mechanisms of strongly correlated electron systems, which are of interest for future transparent electronics. In this study, we investigate magnetotransport properties of thin epitaxial CaVO$_3$ films, grown coherently strained on LaAlO$_3$, and demonstrate for the ultraclean limit quantum oscillations. Fermi liquid behavior is detected in the temperature-dependent resistivity $\rho(T) \sim T^2$ up to 20 K, with effective mean free paths exceeding up to 20 times the film thickness (38 nm). Shubnikov-de Haas oscillations and a non-linear Hall resistance reveal two electron-like (1 and 2) and one hole-like (h) carriers, reflecting the three-fold Fermi surface of orthorhombic CaVO$_3$, with effective charge carrier densities and mobilities at 4.2 K of: (1) $n_1 \approx 9.3 \cdot 10^{21}{}cm^{-3}$ with low mobility $\mu_1 \approx 926{}cm^{2}V^{-1}s^{-1}$, (2) $n_2 \approx 7.2 \cdot 10^{19}{}cm^{-3}$ with high mobility $\mu_2 \approx 6600 {}cm^{2}V^{-1}s^{-1}$, and (h) $n_h \approx 2.2 \cdot 10^{18}{}cm^{-3}$ with $\mu_h \approx 1500{}cm^{2}V^{-1}s^{-1}$. A non-saturating linear magnetoresistance dominates at low temperatures, exceeding the value for single crystals by 30$\%$. Our findings on epitaxial films demonstrate the delicate interplay of multiple carriers with correlations stemming from a non-spherical nested Fermi surface of a perovskite structure with orthorhombic distortion.

Non-Hermitian systems host band degeneracies that are fundamentally distinct from those in Hermitian systems, most notably exceptional points (EPs) where both eigenvalues and eigenvectors coalesce. In three dimensional (3D) non-Hermitian systems, such degeneracies can form closed exceptional loops (ELs), whose global geometry can exhibit nontrivial knot and link structures. In this work, we present a universal and constructive framework for realizing knotted and linked ELs in 3D systems, establishing a direct correspondence between knot theory and non-Hermitian band degeneracies. Starting from an arbitrary knot or link specified by a braid representation, we systematically construct minimal two-band non-Hermitian Hamiltonians whose ELs faithfully realize the prescribed topology in momentum space, enabling a classification of non-Hermitian topological phases based on knot invariants such as braid words and Alexander polynomials. We show that these knotted ELs are generically stable and give rise to non-Hermitian metallic phases characterized by Seifert surfaces, reflecting the defective nature of exceptional degeneracies, in sharp contrast to nodal lines in Hermitian systems that typically require symmetry protection or fine-tuning. Furthermore, we demonstrate that knotted ELs can be continuously deformed and untied through controlled topological transitions driven by a single tuning parameter, providing a deterministic mechanism for manipulating knot topology in momentum space. We also propose an experimental realization in electro-acoustic systems, demonstrating the feasibility of observing knotted ELs through nonreciprocal coupling and tunable parameters. Our results establish knot and link topology as a natural classification scheme for non-Hermitian topological matter and suggest broad applicability in engineered platforms such as photonic, acoustic, and circuit-based systems.

New refractory alloys are being continuously designed and characterised for applications requiring good high-temperature mechanical properties and stability. Computational design from atomistic simulations is limited by interatomic potentials missing key elements, being too inaccurate, or computationally too slow for large-scale simulations. Here we present development of a refractory alloy database and two computationally efficient and general-purpose machine-learned potentials (tabGAP and NEP). We also design a cross-sampling strategy for effective sampling of training data using predictions from two potentials with completely different underlying architecture. The potentials support arbitrary alloy compositions of elements in groups four to six in the periodic table (Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W). The database is diverse yet multitargeted to enable simulations of refractory metals and alloys across different pure-metal, solid-solution, intermetallic, and glassy phases. We demonstrate the usefulness of the potentials by reproducing known pressure-, temperature-, and solute-induced phase transitions, grain boundary segregation, and simulations of radiation damage in the WTaCrVHf metallic glass.

A computationally efficient and accurate machine-learned (ML) interatomic potential is developed for Ti$_{n+1}$C$_n$ MXenes. With a diverse set of structures computed with density functional theory, the trained ML potential demonstrates good accuracy and robustness to a wide range of bond distances and environments, making it a useful tool for molecular dynamics simulations of MXenes subjected to mechanical load or irradiation. The ML potential is applied to simulations of light and heavy ion irradiation, gathering insight into the statistics and probabilities of sputtering, reflection, defect creation, and implantation into Ti$_{n+1}$C$_n$ MXene sheets. The results provide guidelines for defect engineering of MXenes through ion irradiation and implantation. Additionally, the ML potential development provides a landmark recipe for enabling machine-learning-driven atomistic simulations of other MXenes.

Chromium nitride (CrN) is a thermoelectric transition metal nitride whose properties are strongly influenced by stoichiometry, substrate choice, and defect chemistry. CrN is routinely synthesized by physical vapor deposition (PVD), its growth by chemical vapor deposition (CVD) has been limited by the lack of suitable chromium precursors capable of producing carbon-, oxygen-, and chlorine-free films. CVD of contamination-free Cr compounds is notoriously difficult, with carbon-free Cr compounds thought unattainable below 1000 C. Here, we report epitaxial, carbon- and chlorine-free CrN thin films synthesized by thermal CVD. Single-phase CrN films (~110 nm) were deposited on c-plane alpha-Al2O3 using in-situ generated chromium chlorides. Films exhibit n-type conduction with a Seebeck coefficient of -36 uV/K, comparable to PVD-grown CrN. These results present a routeto highly crystalline rock-salt CrN films for defect engineering, doping, and alloying with reduced implantation-related damage capabilities previously largely confined to PVD-based techniques.

V$_2$O$_5$ is a promising battery electrode material that can intercalate not only Li, but also more abundant alkaline metals such as Na and K, and even multivalent ions such as Al, Ca, Cu, Mg, and Zn. V$_2$O$_5$ exhibits several different polymorphs, and phase transitions between the polymorphs can occur depending on intercalant or external conditions. At least 8 different layered polymorphs have been observed. However, detailed information about the energetics and structural properties of each polymorph is still lacking. To obtain a reliable computational reference, we use hybrid density functional theory calculations to investigate the properties of layered V$_2$O$_5$ polymorphs. We benchmarked several methods to include van der Waals interactions in combination with hybrid functionals, and found that the Grimme D3 method is most accurate. We obtain detailed information on the electronic properties and structures of the various unintercalated polymorphs and show that the main electronic effect of intercalants is a filling of the lowest conduction bands, as the intercalant contributions are well above the conduction-band minimum. Despite the structural differences between the unintercalated polymorphs, we find that they have very similar band gaps and band structures, with the exception of the high temperature and pressure phase $\beta$.

Motivated by recent experimental realizations of programmable spin models with long-range interactions, we investigate the non-equilibrium dynamics of the Power-of-Two (PWR2) model. This model consists of sparse long-range couplings between spin-$1/2$ objects separated by $d = 2^n$. In the absence of disorder, the system exhibits rapid scrambling and fast thermalization. We explore the impact of disorder in this system by analyzing the time evolution of the survival probability, half-chain entanglement entropy, and out-of-time-ordered correlators (OTOCs). We find that sufficiently strong disorder suppresses information spreading and induces localization. Remarkably, in the strong-disorder regime, the OTOCs display a non-monotonic spatial profile arising from the intrinsic nonlocality of the interactions, signaling qualitatively distinct scrambling dynamics compared to conventional long-range interacting systems. To characterize the localization transition, we extract the critical disorder strength $h_c$ from the spectral statistics and the eigenstate entanglement. We observe that $h_c$ increases with system size. Furthermore, at a fixed disorder strength, the eigenstate-averaged entanglement entropy increases with system size, while the inverse participation ratio decreases, indicating enhanced delocalization at larger sizes. These results collectively suggest that the PWR2 model remains ergodic in the thermodynamic limit for any finite disorder strength.

We highlight recent progress in the study of artificial flat band systems with a threefold focus. First, we discuss single-particle flat band physics, which has advanced through the design of various flat band generators. These generators rely on the classification of flat bands in terms of compact localized states - their fundamental building blocks. A related development is the complete real-space description of flat band projectors. Next, we review studies on perturbations of flat bands, which provide new insights into the effects of disorder and, more importantly, the intricate interplay between many-body interactions and flat band physics. Finally, we survey the growing number of experimental realizations of flat bands across diverse physical platforms.

Oscillatory dynamics are common features of complex networks, often playing essential roles in regulating function. Across scales from gene regulatory networks to ecosystems, delayed feedback mechanisms are key drivers of system-scale oscillations. The analysis and prediction of such dynamics are highly challenging, however, due to the combination of high-dimensionality, non-linearity and delay. Here, we systematically investigate how structural complexity and delayed feedback jointly induce oscillatory dynamics in complex systems, and introduce an analytic framework comprising theoretical dimension reduction and data-driven prediction. We reveal that oscillations emerge from the interplay of structural complexity and delay, with reduced models uncovering their critical thresholds and showing that greater connectivity lowers the delay required for their onset. Our theory is empirically tested in an experiment on a programmable electronic circuit, where oscillations are observed once structural complexity and feedback delay exceeded the critical thresholds predicted by our theory. Finally, we deploy a reservoir computing pipeline to accurately predict the onset of oscillations directly from timeseries data. Our findings deepen understanding of oscillatory regulation and offer new avenues for predicting dynamics in complex networks.

Frustrated kagome magnets provide a fertile platform for unconventional collective quantum phenomena, yet the role of lattice distortion in reorganizing magnetic degrees of freedom and controlling low-energy physics remains poorly understood. Here we report a rare realization of dimensional reduction in the distorted kagome material $\mathrm{YCa_3(CrO)_3(BO_3)_4}$, combining thermodynamic experiments with first-principles calculations and large-scale Monte Carlo simulations. Magnetic susceptibility and specific heat show no signatures of spin freezing or long-range magnetic order down to $65~\mathrm{mK}$ despite strong antiferromagnetic interactions. Instead, the susceptibility exhibits a broad maximum characteristic of quasi-one-dimensional spin correlations, while the magnetic specific heat follows a robust power law $C_{\mathrm{mag}}\sim T^2$ over more than a decade in temperature that remains unchanged in applied magnetic fields. This field-independent scaling rules out impurity or conventional magnon contributions and points to a collective low-energy excitation spectrum governed by frustration and local constraints. We show that a strongly hierarchical exchange network reorganizes the system into local antiferromagnetic dimers and weakly coupled spin chains, with frustrated inter-unit couplings suppressing three-dimensional order to ultralow temperatures. Our results demonstrate how a hierarchy of competing exchange interactions can reorganize a frustrated three-dimensional magnet into effectively lower-dimensional correlated units, stabilizing extended regimes of quantum-disordered behavior in realistic materials.

Parity-odd transport is a central signature of chiral fluids, yet analytical predictions are sparse. Here, we introduce a minimal two-dimensional hard-disk gas in which chirality arises solely from a collision-induced transverse impulse. Motivated by granular spinners, collisions are dissipative and inject orbital angular momentum through a fixed tangential ``kick'' at contact. Starting from a Boltzmann-Enskog description, we derive nonlinear hydrodynamic equations for density, momentum, and temperature, and show that chirality generates an antisymmetric homogeneous stress corresponding to a nonzero torque density. In the dilute limit, a Chapman-Enskog expansion yields analytical predictions for transport coefficients, including odd viscosity, odd thermal conductivity, and odd self-diffusivity, in good agreement with numerical simulations. This minimal kinetic model can serve as a foundation for systematic coarse-graining of chiral fluids and as a tractable benchmark for gaining insight into odd transport across a broader class of chiral systems.

The flexural strength variability of {\alpha}-SiC based ceramics at elevated temperatures creates the need for an Integrated Computational Materials Engineering (ICME) framework that relates the strength of a specimen directly to its manufacturing process. To create this ICME framework a model must first be developed which establishes a relationship between the chemical vapor infiltration (CVI) process and parameters, the resulting mesoscale pores, and the overall macroscale flexural strength. Here a nonlinear single pore model of CVI is developed used in conjunction with a four-way coupled themo-mechanical damage model. The individual components of the model are tested and a sample system under a four-point bending test is explored. Results indicate that specimens with an initial porosity greater than 30% require temperatures below 1273 K to maintain structural integrity, while those with initial porosities less than 30% are temperature-independent, allowing for optimization of the CVI processing time without compromising strength.

Monolayer SnS2 has emerged as a promising visible-light photocatalyst for photoelectrochemical applications, owing to its strong optical absorption in the visible range and excellent chemical stability. Despite its reduced dimensionality - where excitonic effects are expected to be pronounced - comprehensive theoretical investigations of bound excitons in this material remain scarce. Notably, unlike most two-dimensional hexagonal crystals, monolayer SnS2 exhibits its lowest single-particle transition at the M point of the Brillouin zone (BZ). Here, the electronic valence bands form a saddle point while conduction states display a minimum with pronounced anisotropy, creating a distinctive band topology whose impact on optical excitations has not yet been systematically explored. In this work, we present a first-principles study of bound excitons in monolayer SnS2 based on state-of-the-art many-body perturbation theory, employing the GW approximation and the Bethe-Salpeter equation (BSE). We analyze how band symmetry and anisotropy shape the excitonic wavefunctions and transition dipole moments. By resolving the exciton dipoles in momentum space for different linear light polarizations, we demonstrate that linearly polarized light lifts the C3 rotational symmetry relating the three inequivalent M points, giving rise to three linearly independent excitonic states. This polarization-selective coupling, previously identified for saddle points in graphene, is achieved in SnS2 for bound excitons and provides a potential route toward state encoding schemes in valleytronics applications.

Spin precession experiments in lateral spin devices are a powerful tool for probing the spin transport properties of materials. These experiments can be quantitatively described using the Bloch diffusion equation, which offers a practical framework for modeling spin-related phenomena. In this work, we present calculations of the spin density across heterogeneous, diffusive spintronic devices. The modeled devices feature spin transport channels that include both isotropic and in-plane anisotropic spin relaxation regions. We analyze how different geometric configurations and spin transport parameters influence the lineshape of spin precession signals under magnetic fields applied in different orientations and compare with experimental observations. Our results introduce a theoretical framework for interpreting spin transport measurements in lateral graphene spin devices. The framework is especially relevant when the graphene is partially proximitized by other two-dimensional materials, where proximity-induced spin-orbit coupling leads to anisotropic spin relaxation.

Precise and high efficiency concentration of mid-infrared (mid-IR) light into sub wavelength volumes is essential for probing low-energy excitations and achieving strong field enhancements, which can be hindered by absorption losses and coupling inefficiencies at long wavelengths. Here, we introduce an innovative diamond-based metal-insulator-metal campanile probe that adiabatically compresses free-space mid infrared light (10 \mum) into \approx 1 \mum domains. Integrated into a scanning photovoltage microscope, the probe enables sub-wavelength mapping of locally driven photocurrents in graphene, resolving polarization dependent and contact-sensitive responses at energies down to \approx 0.1 eV. Experiments reveal a photocurrent signal density enhancement of 10^3 and coupling efficiencies approaching 80%, in agreement with numerical simulations. Operation of the probe with quantum cascade and free electron lasers demonstrates a robust, spectrally tunable platform for high-resolution exploration of low-energy carrier dynamics in atomically thin materials, opening opportunities for mid-IR optoelectronics and quantum photonics.

Gallium oxide is an ultra-wide bandgap semiconductor with excellent opto-electronic properties, making it a highly promising material for a wide range of applications and devices. In this article, we report how the optical, morphological, structural, and compositional properties of $\beta$-Ga$_2$O$_3$ thin films deposited by RF sputtering on silicon substrates are affected by thermal treatments. Ellipsometric spectra recorded at multiple angles of incidence from several samples subjected to thermal annealing in the range of 550-1000 $^\circ$C were analyzed to extract the optical functions using appropriate multilayer models. This analysis is complemented by compositional, structural, and morphological characterization techniques. A significant increase of the refractive index was found after annealing at 1000 $^\circ$C, accompanied by a stark improvement in the samples' crystalline structure, as confirmed by complementary structural and compositional characterization techniques.

Granular systems confined in a shallow box and driven by vertical vibration provide a simple geometry to study fluidized granular media. Grains gain kinetic energy vertically through collisions with the walls and redistribute it horizontally via interparticle collisions. The $\Delta$-model has been proposed as a simplified description of this setup. In this model, a fixed velocity increment $\Delta$ is added to the normal component of the relative velocity at collisions, effectively integrating out the vertical motion while preserving collisional energy injection. This compensates for inelastic losses and yields stable homogeneous steady states amenable to kinetic theory. An Enskog kinetic equation is formulated and analyzed to obtain the stationary temperature and equation of state. The Chapman--Enskog method is then applied to derive the Navier--Stokes transport coefficients and study inhomogeneous states. The theory is extended to granular mixtures with different masses, sizes, restitution coefficients, or $\Delta$ values, leading to nonequipartition of energy even in homogeneous states. The resulting hydrodynamic equations, with transport coefficients obtained in the low-density regime, show unconditional stability of the homogeneous state and violation of Onsager reciprocity. Theoretical predictions agree well with molecular dynamics and direct simulation Monte Carlo results.

Incorporating nanomaterials into food products provides key benefits, including extended shelf life, improved safety, and enhanced quality and texture. These innovations could help tackle major challenges in modern food systems, such as reducing waste and enhancing food quality and safety. However, potential toxicity remains a concern, compounded by the lack of physiologically relevant models for assessing ingested nanomaterials. Traditional in vitro and in vivo approaches often fail to mimic gastrointestinal complexity, resulting in inconsistent and non predictive nanotoxicity data that hinder accurate risk assessment of nano enabled foods. To address this gap, this review evaluates the potential of microphysiological systems (MPS), particularly gut-targeted MPS, for modeling gastrointestinal nanoparticle exposure. It examines how MPS technologies replicate key physiological processes relevant to food specific risk assessment, including intestinal barrier function, microbiota immune interactions, and gut organ communication. A comparative analysis of technological advances and their applications in nanotoxicology explores how MPS can be better adapted for nanofood safety evaluation.

Carbonaceous Chondrites have special significance in the stellar evolution and in particular in the evolution of life on earth. The carbonaceous meteorite that fell in Mukundpura village, Jaipur, Rajasthan on 6th June 2017 is one such rare CM2 (Carbonaceous Chondrite) carbonaceous meteorite. We carried out high resolution scanning and transmission electron microscopic (TEM) studies on typical thin sections, showing abundant grains of iridium (Ir), pentlandite (NiS), and more interestingly crystalline carbon (C). These crystallite carbon grains resemble nanodiamond like signature in the freshest Mukundpura meteorite. The high-resolution Raman spectroscopic measurements are carried out on the crystalline carbon grains, showing well resolved three distinct peaks with a vibrational mode at 1315 cm-1, with the onset of a weak vibrational mode at 1150 cm^-1, substantiating the observation of nanocrystalline diamond in Mukundpura meteorite. The broad peak centered at 1360 cm^-1 and 1575 cm^-1 (as an average), suggest the presence of graphitic carbon as well together with apparent presence of nanocrystalline diamond. The average size of nanocrystalline diamond is ~ 3-5 nm. High iridium content in this meteorite supports the meteoric impact related iridium anomaly in geological stratigraphic boundaries (this http URL-Tertiary boundary) that has caused mass extinction of flora and fauna.

In hot arid and semi-arid regions, substantial irrigation water is lost through surface evaporation under intense solar irradiation and high temperatures, limiting freshwater sustainability and crop productivity. Superhydrophobic Sand (SHS) mulch, a plastic-free, bio-inspired technology, has been proposed as a dry diffusion barrier to suppress evaporative losses. Here, we combine controlled column experiments with heat and mass transfer modeling to quantify how SHS thickness and soil properties govern evaporation under fixed irradiation. Relative to unmulched controls, a 5 mm SHS layer reduced evaporative flux by 65$\%$ in fine sand and 63$\%$ in coarse sand, while a 10 mm layer reduced flux by 83$\%$ and 70$\%$, respectively. Notably, soil-type trends reversed after mulching: although unmulched fine sand exhibited 37.5$\%$ higher evaporation than coarse sand, application of a 10 mm SHS layer reduced fine-sand evaporation to 40$\%$ below that of coarse sand. To explain this counterintuitive behavior, we developed a coupled heat and vapor transport model incorporating soil thermophysical properties and diffusion through the porous mulch layer. The model accurately predicted steady-state temperature profiles and evaporation rates for both mulched and unmulched systems. Our results show that SHS mulch shifts evaporation from a surface-temperature-controlled regime to a diffusion-limited regime governed by mulch thickness and soil thermal conductivity. This mechanistic understanding clarifies the performance of SHS and supports its potential to enhance irrigation efficiency in arid agricultural and landscaping applications.

We study gravimetry with bosonic trapped atoms in the presence of random spatial inhomogeneity. The errors resulting from a random, shot-to-shot fluctuating spatial inhomogeneity are quantum non-Markovian. We show that in a system with $L>2$ modes (i.e., trapping sites), these errors can be post-corrected using a Bayesian inference. The post-correction is done via in situ measurements of the errors and refining the data-processing according to the measured error. We define an effective Fisher information $F_{\text{eff}}$ for such measurements with a Bayesian post-correction and show that the Cramer-Rao bound for the final precision is $\frac{1}{\sqrt{F_{\text{eff}}}}$. Exploring the scaling of the effective Fisher information with the number of atoms $N$, we show that it saturates to a constant when there are too many sources of error and too few modes. That is, with $\ell$ independent sources of error, we show that the effective Fisher information scales as $F_{\text{eff}} \sim \frac{N^2}{a+bN^2}$ for constants $a, b>0$ when the number of modes is small: $L<\ell+2$, even after maximization over the Hilbert space. With larger number of modes, $L\geq \ell+2$, we show that the effective Fisher information has a Heisenberg scaling $F_{\text{eff}}= O(N^2)$ when optimized over the Hilbert space. Finally, we study the density of the effective Fisher information in the Hilbert space and show that when $L\geq \ell+2$, almost any Haar random state has a Heisenberg scaling, i.e., $F_{\text{eff}}=O(N^2)$. Based on these results, we develop a Loschmidt echo-like experimental sequence for error mitigated gravimetry and gradiometry and discuss potential implementations. Finally, we argue that the effective Fisher information can be interpreted as the Fisher information corresponding to an equivalent non-Hertimitian evolution.

Most of the known non-invertible symmetries of quantum field theories in three and four spacetime dimensions act invertibly on local operators. An exception is coset symmetries, which can be constructed from gauging a non-normal subgroup of an invertible symmetry. In this paper, we study the action of a general finite non-invertible symmetry on local operators in four dimensions. We show that non-invertible symmetries without topological line operators necessarily act invertibly on local operators. Using this result, we argue that the action of a general non-invertible symmetry in 3+1d on local operators can be decomposed into the invertible action of some operators composed with the action of a gauging interface. We use this result to study when such a symmetry is anomaly-free. We find a necessary condition for a finite non-invertible symmetry in 3+1d to be anomaly-free, and show that anomaly-free non-invertible symmetries without topological line operators are non-intrinsically non-invertible.

Generalization in generative modeling is defined as the ability to learn an underlying distribution from a finite dataset and produce novel samples, with evaluation largely driven by held-out performance and perceived sample quality. In practice, training is often stopped at the minimum of the test loss, taken as an operational indicator of generalization. We challenge this viewpoint by identifying a phase of biased generalization during training, in which the model continues to decrease the test loss while favoring samples with anomalously high proximity to training data. By training the same network on two disjoint datasets and comparing the mutual distances of generated samples and their similarity to training data, we introduce a quantitative measure of bias and demonstrate its presence on real images. We then study the mechanism of bias, using a controlled hierarchical data model where access to exact scores and ground-truth statistics allows us to precisely characterize its onset. We attribute this phenomenon to the sequential nature of feature learning in deep networks, where coarse structure is learned early in a data-independent manner, while finer features are resolved later in a way that increasingly depends on individual training samples. Our results show that early stopping at the test loss minimum, while optimal under standard generalization criteria, may be insufficient for privacy-critical applications.

Adversarial attacks - input perturbations imperceptible to humans that fool neural networks - remain both a persistent failure mode in machine learning, and a phenomenon with mysterious origins. To shed light, we define and analyze a network's perceptual manifold (PM) for a class concept as the space of all inputs confidently assigned to that class by the network. We find, strikingly, that the dimensionalities of neural network PMs are orders of magnitude higher than those of natural human concepts. Since volume typically grows exponentially with dimension, this suggests exponential misalignment between machines and humans, with exponentially many inputs confidently assigned to concepts by machines but not humans. Furthermore, this provides a natural geometric hypothesis for the origin of adversarial examples: because a network's PM fills such a large region of input space, any input will be very close to any class concept's PM. Our hypothesis thus suggests that adversarial robustness cannot be attained without dimensional alignment of machine and human PMs, and therefore makes strong predictions: both robust accuracy and distance to any PM should be negatively correlated with the PM dimension. We confirmed these predictions across 18 different networks of varying robust accuracy. Crucially, we find even the most robust networks are still exponentially misaligned, and only the few PMs whose dimensionality approaches that of human concepts exhibit alignment to human perception. Our results connect the fields of alignment and adversarial examples, and suggest the curse of high dimensionality of machine PMs is a major impediment to adversarial robustness.

We aim to learn wavefunctions simulated by time-dependent density functional theory (TDDFT), which can be efficiently represented as linear combination coefficients of atomic orbitals. In real-time TDDFT, the electronic wavefunctions of a molecule evolve over time in response to an external excitation, enabling first-principles predictions of physical properties such as optical absorption, electron dynamics, and high-order response. However, conventional real-time TDDFT relies on time-consuming propagation of all occupied states with fine time steps. In this work, we propose OrbEvo, which is based on an equivariant graph transformer architecture and learns to evolve the full electronic wavefunction coefficients across time steps. First, to account for external field, we design an equivariant conditioning to encode both strength and direction of external electric field and break the symmetry from SO(3) to SO(2). Furthermore, we design two OrbEvo models, OrbEvo-WF and OrbEvo-DM, using wavefunction pooling and density matrix as interaction method, respectively. Motivated by the central role of the density functional in TDDFT, OrbEvo-DM encodes the density matrix aggregated from all occupied electronic states into feature vectors via tensor contraction, providing a more intuitive approach to learn the time evolution operator. We adopt a training strategy specifically tailored to limit the error accumulation of time-dependent wavefunctions over autoregressive rollout. To evaluate our approach, we generate TDDFT datasets consisting of 5,000 different molecules in the QM9 dataset and 1,500 molecular configurations of the malonaldehyde molecule in the MD17 dataset. Results show that our OrbEvo model accurately captures quantum dynamics of excited states under external field, including time-dependent wavefunctions, time-dependent dipole moment, and optical absorption spectra.

Metasurfaces leveraging nonlocal resonances enable narrowband spectral control and strong near-fields, with applications spanning augmented reality, biosensing, and nonlinear optics. However, the large spa- tial extent of these modes also poses new challenges: finite-size effects often deteriorate the performance of practical, footprint-limited devices. Here, we develop a spatiotemporal coupled-mode theory model that intuitively and quantitatively captures how finite size affects the scattering response of nonlocal metasurfaces. This reveals that, when the modal propagation length becomes constrained by the phys- ical interaction length, the scattered field shows strong interference fringes and linewidth broadening. We derive an expression for the quality factor that incorporates an additional edge-loss channel, demon- strating that the stored energy and effective lifetime scale exponentially with the interaction length. We validate these predictions experimentally using position- and momentum-resolved spectroscopy on a 30-micron-wide metasurface. Overall, this work formalizes the impact of finite size on the scattering re- sponse of nonlocal photonic systems, and provides handles on how to minimize the impact of finite-size effects in metasurface design.

We present two independent optical methods for absolute primary thermometry using rare-earth-doped nanoparticles. Both approaches rely exclusively on the internal energy levels and population dynamics of the dopant ions, eliminating the need for external temperature references. We experimentally demonstrate the concepts by using Y$_2$O$_3$: Yb$^{3+}$/Er$^{3+}$ nanoparticles, exploiting Boltzmann distribution between individual Stark sublevels of the Er$^{3+}$ ions, emitting in the green spectral region ($\sim$550 nm) and in the near-infrared spectral region ($\sim$1600 nm). Our strategy establishes rare-earth-based luminescence thermometers as genuine absolute primary probes, conceptually comparable to Johnson noise and acoustic gas thermometers, but with the fundamental advantage of possibly being employed at the nanoscale, potentially down to the single-ion limit, with optical readout and over wide temperature ranges.

In non-axisymmetric plasmas, the ambipolar condition may have multiple roots. In such cases, the evolution of the ambipolar electric field can be described by the dynamics in a bistable potential, where the relative depth of the potential wells primarily determines the realized root. In this study, we show that the inclusion of the magnetic drift in the orbit model can significantly modify the potential landscape and affect root selection. This effect provides a possible explanation for discrepancies between simulation results obtained using different orbit models, as well as between simulations and experimental observations of ambipolar radial electric field profiles. Further, the analysis suggests that the ambipolar electric field may be more susceptible to fluctuations than previously expected, indicating the potential relevance of noise-induced state transitions.

We propose to implement an optical analogue of the tautochrone property of the cycloid to allow the focusing of ultrashort pulses inside photonic systems. This allows to enhance nonlinear effects, resulting in orders of magnitude increase of nonlinearity-induced phase shifts, while employing low irradiances. Building upon the optical-mechanical analogy, we show how to produce optical limiters for temporal light pulses, and how to implement temporal bistability and even multistability with large numbers of states. Finally, we move this concept to the quantum realm and predict a tautochrone quantum blockade regime with a stronger antibunching.

We ask whether the Hamiltonian, interaction geometry, and symmetries of a quantum many-body system can be inferred from a few low-lying eigenstates without knowing which sites interact with each other. Directly solving the eigenvalue equations imposes constraints that yield a highly degenerate subspace of candidate operators, where the local Hamiltonian is hidden among an extensive family of conserved quantities, obscuring the interaction geometry. Here we introduce O-Sensing, a protocol designed to extract the Hamiltonian and symmetries directly from these states. Specifically, O-Sensing employs parsimony-driven optimization to extract a maximally sparse operator basis from the degenerate subspace. The Hamiltonian is then selected from this basis by maximizing spectral entropy (effectively minimizing degeneracy) within the sampled subspace. We validate O-Sensing on Heisenberg models on connected Erdős--Rényi graphs, where it reconstructs the interaction geometry and uncovers additional long-range conserved operators. We establish a learnability phase diagram across graph densities, featuring a pronounced ``confusion'' regime where parsimony favors a dual description on the complement graph. These results show that sparsity optimization can reconstruct interaction geometry as an emergent output, enabling simultaneous recovery of the Hamiltonian and its symmetries from low-energy eigenstates.

Femtosecond pulsed laser systems constitute powerful tools for the high-precision structuring of materials at micro/nano-scale resolutions. A critical parameter influencing the efficacy of ultrafast laser-material interactions is the laser-induced damage threshold (LIDT), which is defined as the minimum laser fluence required to induce irreversible modification to the material surface. While extensive studies have addressed single-pulse damage mechanisms, the response of thin metallic films to double-pulse femtosecond irradiation, particularly when the film thickness is of the order of the optical penetration depth, remains, generally, unexplored. In this work, we present a rigorous theoretical investigation into the spatiotemporal evolution of energy deposition, thermalization processes and optical parameter changes under double-pulse excitation conditions. The analysis considers key parameters including the inter-pulse delay and the film thickness to evaluate their influence on the LIDT for a range of technologically relevant metals: Au, Ag, Cu, Al, Ni, Ti, Cr, Pt, W, Mo and Stainless Steel (100Cr6). ). A comparative analysis highlights the potential of controlled double-pulse irradiation schemes to manipulate energy coupling efficiency, improve the spatial selectivity of laser-induced modifications and compile a comprehensive LIDT database for commonly used industrial materials. The approach is aimed to provide a robust foundation for the design and optimization of advanced laser micromachining and nanofabrication protocols across a broad spectrum of metallic systems.

We investigate the emergence of fractional topological invariants in a periodic Su-Schrieffer- Heeger chain subject to gain and loss, governed by the Gorini-Kossakowski-Sudarshan-Lindblad master equations. After preparing the symmetry condition for integer topological invariants, we investigate their transition to fractional ones in steady states, which can happen either by tuning parameters in jump operators or as a dynamical transition during time evolution. Moreover, we show that these fractional topological invariants no longer possess quantized topology in the conventional sense. However, by extending the Brillouin zone to cover multiple cycles, the total winding regains integer quantization. Finally, we show how such effects can be observed in long-range hopping photonic lattices with fractional fillings, via Bloch state tomography. Our results open a new pathway to understand fractional topology in open quantum systems.

While quantum batteries have been widely studied under static driving, their performance under periodic driving in many-body systems remains far less understood. In this Letter, we uncover structural principles showing that many-body structure fundamentally determines the charging performance of a collective spin-1/2 quantum battery driven by a periodic Ising charger. In particular, interaction range, boundary conditions, system size, and integrability -- capturing graph connectivity, geometry, even-odd effects, and many-body dynamics -- emerge as critical factors for enhancing stored energy and charging power. First, we analyze how connectivity scaling and boundary geometry shape battery performance. We show that long-range interacting chargers exhibit superextensive energy storage, approaching the fundamental upper bound over broad ranges of driving periods and system sizes. In contrast, nearest-neighbor chargers achieve optimal charging only under finely tuned commensurability conditions. Moreover, we find that open boundary conditions (OBC) enhance robustness compared to periodic boundary conditions (PBC). Second, we examine the role of integrability under periodic driving. We demonstrate that nonintegrability enhances energy storage by suppressing conserved quantities and promoting ergodic Floquet dynamics, thereby enabling efficient population of the many-body spectrum. Through systematic structural optimization across multiple parameters, we identify long-range nonintegrability as a central resource for fast, scalable, and robust charging of collective quantum batteries. Our results clarify how structural features of many-body systems, together with periodic driving, can be harnessed to achieve efficient collective charging dynamics.

Multi-head attention enables transformer models to represent multiple attention patterns simultaneously. Empirically, head specialization emerges in distinct stages during training, while many heads remain redundant and learn similar representations. We propose a theoretical model capturing this phenomenon, based on the multi-index and single-location regression frameworks. In the first part, we analyze the training dynamics of multi-head softmax attention under SGD, revealing an initial unspecialized phase followed by a multi-stage specialization phase in which different heads sequentially align with latent signal directions. In the second part, we study the impact of attention activation functions on performance. We show that softmax-1 significantly reduces noise from irrelevant heads. Finally, we introduce the Bayes-softmax attention, which achieves optimal prediction performance in this setting.

Quantum measurements are the means by which we recover messages encoded into quantum states. They are at the forefront of quantum hypothesis testing, wherein the goal is to perform an optimal measurement for arriving at a correct conclusion. Mathematically, a measurement operator is Hermitian with eigenvalues in [0,1]. By noticing that this constraint on each eigenvalue is the same as that imposed on fermions by the Pauli exclusion principle, we interpret every eigenmode of a measurement operator as an independent effective fermionic mode. Under this perspective, various objective functions in quantum hypothesis testing can be viewed as the total expected energy associated with these fermionic occupation numbers. By instead fixing a temperature and minimizing the total expected fermionic free energy, we find that optimal measurements for these modified objective functions are Fermi-Dirac thermal measurements, wherein their eigenvalues are specified by Fermi-Dirac distributions. In the low-temperature limit, their performance closely approximates that of optimal measurements for quantum hypothesis testing, and we show that their parameters can be learned by classical or hybrid quantum-classical optimization algorithms. This leads to a new quantum machine-learning model, termed Fermi-Dirac machines, consisting of parameterized Fermi-Dirac thermal measurements-an alternative to quantum Boltzmann machines based on thermal states. Beyond hypothesis testing, we show how general semidefinite optimization problems can be solved using this approach, leading to a novel paradigm for semidefinite optimization on quantum computers, in which the goal is to implement thermal measurements rather than prepare thermal states. Finally, we propose quantum algorithms for implementing Fermi-Dirac thermal measurements, and we also propose second-order hybrid quantum-classical optimization algorithms.

Can reinforcement learning with hard, verifiable rewards teach a compact language model to reason about physics, or does it primarily learn to pattern-match toward correct answers? We study this question by training a 1.5B-parameter reasoning model on beam statics, a classic engineering problem, using parameter-efficient RLVR with binary correctness rewards from symbolic solvers, without teacher-generated reasoning traces. The best BeamPERL checkpoint achieves a 66.7% improvement in Pass@1 over the base model. However, the learned competence is anisotropic: the model generalizes compositionally (more loads) but fails under topological shifts (moved supports) that require the same equilibrium equations. Intermediate checkpoints yield the strongest reasoning, while continued optimization degrades robustness while maintaining reward. These findings reveal a key limitation of outcome-level alignment: reinforcement learning with exact physics rewards induces procedural solution templates rather than internalization of governing equations. The precision of the reward signal - even when analytically exact - does not by itself guarantee transferable physical reasoning. Our results suggest that verifiable rewards may need to be paired with structured reasoning scaffolding to move beyond template matching toward robust scientific reasoning.

In conventional optical Stark-shift spectroscopy, molecules are exposed to spatially homogeneous static electric fields that shift the energies of their spectral lines. These shifts are attributed to the molecular electronic properties, such as variation of dipolar moment and polarizability of the molecule associated with photo(de)excitation. In realistic environments containing structural defects and nanoscale heterogeneities, however, molecules experience internal electric fields that vary strongly on the molecular scale, rendering the standard Stark selection rules inapplicable. Here we develop an extended theory of atomic-scale Stark shift, addressing such scenarios. Specifically, we present a detailed theoretical analysis of an experimentally relevant configuration where the atomically sharp tip of a light-assisted scanning tunneling microscope is used to controllably apply inhomogeneous electrostatic fields to representative molecular dyes spanning several molecular families. We decompose the total Stark shift into linear and quadratic contributions and show that they contain different information about the molecular properties. Concretely, spatial variations of the linear Stark shift as the tip scans across the molecule enable subnanometric mapping of the charge redistribution between ground and excited electronic states, with high sensitivity to molecular composition and chemical functionalization. The quadratic Stark contribution, in contrast, reflects changes in the conventional dipolar polarizability upon excitation. Together, these results establish nanoscale Stark-shift spectroscopy as a powerful tool for resolving excited-state charge dynamics in single molecules under realistic, strongly inhomogeneous electric fields.

We systematically investigate the thermodynamic landscape of the 38-atom Lennard--Jones cluster LJ$_{38}$ using Population Annealing (PA), a method suited for systems with challenging double-funnel energy landscapes. By employing an adaptive temperature schedule, we demonstrate that thermodynamic observables, such as internal energy and heat capacity, converge robustly when the population size is sufficiently large. To gain deeper insights into the competing basins, we introduce an integrated framework that combines PA reweighting factors with structure-resolved analysis. Using quenched configurations characterized by potential energy and Steinhardt's bond-orientational order parameters, we identify three structural basins, FCC-like, icosahedral, and liquid-like, via dimensionality reduction and clustering. This framework enables the direct computation of structure-resolved free energy differences from population fractions, providing a quantitative mapping of the thermodynamic competition between the funnels. The resulting structural crossovers are consistent with the heat-capacity peak, demonstrating PA as a promising and scalable framework for structure-resolved thermodynamics in complex molecular systems.

Coherent control of motional degrees of freedom of ultracold atoms in optical lattices offers a promising route towards programmable quantum dynamics with massive particles. We propose and analyze a scheme for implementing coherent rearrangement of ultracold atoms, corresponding to arbitrary unitary transformations on single-particle motional states. Exploiting an analogy between dynamics in optical superlattices and discrete linear optics, we employ the Clements scheme to systematically construct any global $N$-dimensional single-particle unitary from tunneling and phase shifts in arrays of double wells. Tunneling is controlled globally, while local operations are achieved through site-resolved potential shifts. We numerically investigate the susceptibility of the scheme to intensity noise and addressing crosstalk. We identify key subroutines enabled by this unitary construction, including the Discrete Fourier Transform and the implementation of non-native Hamiltonians. Extending the scheme to two dimensions enables all-to-all atomic rearrangement with a circuit depth that scales sublinearly with the atom number, providing a high-density and highly scalable approach to atom rearrangement.

We introduce a taxonomy of interaction types and show that graphs are focal hypergraphs: every graph is canonically a focal hypergraph via its closed neighbourhood structure, and every graph dynamical model is a special case of the general hypergraph dynamical model. The central distinction is between \emph{focal} interactions, in which the interaction domain is defined relative to a designated reference node, and \emph{non-focal} interactions, in which all participants stand in equivalent structural relationship. Closed graph neighbourhoods are precisely focal hyperedges, so hyperedges generalise graph neighbourhoods by removing the focal constraint. This yields a strict three-level hierarchy: graph models $\subsetneq$ focal hypergraph models $\subsetneq$ general hypergraph models. Moreover, graph models do encode genuinely higher-order (many-body) interactions, in the sense that each node's update function may depend jointly on all members of its closed neighbourhood, but they remain a strict special case of the hypergraph dynamical model, not equivalent to it. We further show that universal encodings such as bipartite factor graphs are neutral with respect to this hierarchy, and that the symmetry condition of the hypergraph dynamical model -- often treated as an additional constraint relative to the graph model -- is in fact the dynamical definition of a non-focal interaction. The taxonomy is grounded in concrete phenomena from physics, biology, ecology, and social systems, and yields a principle of representational alignment: the choice between graph and hypergraph models should be governed by the type of interaction, not by a blanket preference for one formalism over the other.

We investigate the propagation of two-point density correlations in the one-dimensional Bose-Hubbard Hamiltonian in the thermodynamic limit in terms of the correlation transport distance (CTD), an experimentally measurable magnitude that characterizes the spatial spreading of correlations in time. We confirm that the integrable limits of the model exhibit CTD ballistic growth, while the onset of the chaotic phase leads to the emergence of a pronounced sub-ballistic regime, in agreement with previous results for finite systems. By a meticulous analysis of the spatio-temporal correlation profiles, we show that the correlation front nonetheless propagates ballistically for all interaction strengths, and that the chaos-induced slowdown of the CTD originates from the emergence of long-time distance-dependent correlation tails, together with an enhanced decay of the correlation front amplitude. Our results thus provide a detailed characterization of correlation transport that goes beyond a simple light-cone picture.

Hyperuniform disorder is a type of correlated disorder characterized by vanishing spectral density at small wavevectors, making the configuration effectively homogeneous on long length scales. In photonics, hyperuniform disorder is promising for generating isotropic photonic pseudogaps and engineering photonic crystal waveguides. However, these studies are largely restricted to idealized lossless settings, although all photonic systems necessarily have loss. In this work, light propagation in photonic crystal slabs with imposed hyperuniform disorder is investigated theoretically and numerically. The system is intrinsically non-Hermitian due to radiative loss, with non-Hermiticity appearing as a complex effective mass of a quadratic photonic band. A theoretical framework for disorder scattering is analytically derived in Hermitian and non-Hermitian quadratic bands with real and complex effective mass, respectively. In contrast to the power law behavior $|\mathbf{k}|^\alpha$ observed in the Hermitian case (where $\alpha$ is the hyperuniformity exponent), the scattering loss in the non-Hermitian band is given by $C_0+C_{\beta_2}\cdot|\mathbf{k}|^{\beta_2}$, where $C_0$ is a finite constant and the exponent $\beta_2\leq 2$. Our theoretical predictions are verified with tight-binding and Finite-Difference Time-Domain simulations with realistic photonic crystal parameters, based on recent experiments.

For decades, mechanical resonators with high sensitivity have been realized using thin-film materials under high tensile loads. Although there have been remarkable strides in achieving low-dissipation mechanical sensors by utilizing high tensile stress, the performance of even the best strategy is limited by the tensile fracture strength of the resonator materials. In this study, a wafer-scale amorphous thin film is uncovered, which has the highest ultimate tensile strength ever measured for a nanostructured amorphous material. This silicon carbide (SiC) material exhibits an ultimate tensile strength of over 10 GPa, reaching the regime reserved for strong crystalline materials and approaching levels experimentally shown in graphene nanoribbons. Amorphous SiC strings with high aspect ratios are fabricated, with mechanical modes exceeding quality factors 10^8 at room temperature, the highest value achieved among SiC resonators. These performances are demonstrated faithfully after characterizing the mechanical properties of the thin film using the resonance behaviors of free-standing resonators. This robust thin-film material has significant potential for applications in nanomechanical sensors, solar cells, biological applications, space exploration and other areas requiring strength and stability in dynamic environments. The findings of this study open up new possibilities for the use of amorphous thin-film materials in high-performance applications.

We consider a lattice model in which a tracer particle moves in the presence of randomly distributed immobile obstacles. The crowding effect due to the obstacles interplays with the quasi-confinement imposed by wrapping the lattice onto a cylinder. We compute the velocity autocorrelation function and show that already in equilibrium the system exhibits a dimensional crossover from two- to one-dimensional as time progresses. A pulling force is switched on and we characterize analytically the stationary state in terms of the stationary velocity and diffusion coefficient. Stochastic simulations are used to discuss the range of validity of the analytic results. Our calculation, exact to first order in the obstacle density, holds for arbitrarily large forces and confinement size.

Exchange coupling parameters $J_{ij}$ in the Heisenberg model are crucial for describing magnetic behavior at the atomic level. In magnetic materials, spin fluctuations can be accompanied by a self-consistent electronic response -- including charge and magnetization redistribution and changes in orbital occupations -- reflecting electron--spin coupling in the sense of electronic feedback to finite spin rotations. However, the quantitative importance of this coupling in extracting reliable $J_{ij}$ has not been fully clarified. Here, using fully self-consistent, nonperturbative evaluations, we show that finite-angle spin rotations induce such electronic feedback and quantify how strongly it renormalizes the extracted $J_{ij}$. We examine systems of both fundamental and practical interest, including perovskite SrMnO$_3$, Nd-based permanent-magnet compounds (Nd$_2$Fe$_{14}$B and Nd$_2$Co$_{14}$B), and elemental $3d$ transition this http URL nonperturbative approach yields exchange couplings that remain consistent over a wide range of rotation angles. Moreover, spin models parameterized in this way give reasonable agreement with experimental magnetic phase-transition temperatures, underscoring the quantitative role of electron--spin coupling. Overall, our results provide a practical route to constructing quantitatively reliable spin models for predictive finite-temperature simulations and magnetic-materials design.

Accurate modelling of magnetism is pivotal for elucidating the microscopic origins of magnetic phenomena in functional materials. However, for a specified class of materials, such as random dilute ferromagnets or alloys, the reliance on simplifying assumptions, such as single-ion anisotropy, limits the accuracy of existing spin models. In such systems, there is a significant probability of the formation of nearest-neighbor magnetic ion pairs or higher order clusters, whose presence breaks the local symmetry of otherwise isolated magnetic species. Here, we introduce the concept of pair-induced uniaxial anisotropy and demonstrate how nearby atoms influence each other's anisotropic behavior. This effect is investigated in the dilute magnetic semiconductor Ga$_{1-x}$Mn$_x$N, by means of density functional theory calculations. The inclusion of pair anisotropy in the atomistic spin simulations significantly improves the agreement between simulated and experimental magnetization curves, in contrast to models that consider only single-ion anisotropy.

Topological Anderson insulators represent a class of disorder-induced, nontrivial topological states of matter. In this study, we propose a feasible strategy to unveil and design topological Anderson insulators protected by latent symmetries. These are not visible in the original system, but become obvious after performing an isospectral reduction. Using this technique, we design a family of disordered multi-atomic chains that exhibit latent chiral symmetry or mirror (inversion) symmetry. Using topological invariants, bulk polarization, and the divergence of localization length of the topological bound edge states in the reduced disordered system, we show how to identify the gapped and ungapped topological Anderson states in the original systems. Our work thus extends the concept of topological Anderson insulating phases protected by geometric symmetries and tenfold-way classification to the various types of latent symmetry cases. Overall, our work paves the way for exploiting topological Anderson insulators in terms of latent symmetries.

This theoretical work is devoted to investigating the magnon-magnon interaction effect in a two-dimensional Heisenberg-Kitaev honeycomb ferromagnet with Dzyaloshinskii-Moriya interaction (DMI). Based on the first-order Green function formalism, we calculate the thermal-fluctuation-induced temperature-dependent self-energy corrections of magnons. Our calculations reveal that the critical temperature for temperature-induced topological phase transitions monotonically approaches the Curie temperature with increasing DMI strength. Furthermore, it is shown that the critical temperature for topological phase transitions is correlated with Dzyaloshinskii-Moriya interaction and magnetic field strength.

We generalize the eta-pairing theory to very general non-Hermitian Hubbard models and find many novel phenomena without Hermitian analogs. For instance, the Hermitian conjugate of an eta-pairing eigenoperator may not be an eigenoperator, eta-pairing eigenoperators can be spatially modulated, and the $SU(2)$ pseudospin symmetry may not be possible even if $H$ commutes with the eta-pairing operators. Remarkably, these novel non-Hermitian phenomena are closely related to each other by several theorems we establish and can lead to, for example, new types of eta-pairing operators (e.g., the notion of non-Hermitian angular-momentum operators) and the anomalous localization of eta-pairing eigenstates. Some issues on the $SO(4)$ and particle-hole symmetries are clarified. Our general eta-pairing theory also reveals a previously unnoticed unification of these symmetries of the Hubbard model. To exemplify these findings, we first propose the one-dimensional Hatano-Nelson-Hubbard model (with or without the bulk translation invariance) and show that the right and left two-particle eta-pairing eigenstates are exponentially localized at opposite boundaries of the chain. Then, we generalize this model to two dimensions and find that the eta-pairing eigenstates can exhibit the first- or second-order skin effect. Finally, to realize all of the non-Hermitian eta-pairing phenomena, we construct a general two-sublattice model that is defined on an arbitrary lattice; this model can also reveal the eta-pairing structure in systems with Hermitian hoppings, including the original eta-pairing theory for square lattice, the extension to triangular lattice, and some topological systems. Our results establish a new and rigorous theoretical framework for studying novel quantum phenomena in interacting non-Hermitian many-body systems, even in arbitrary spatial dimensions and without the bulk translation symmetry.

The attractive Hubbard model plays a paradigmatic role in the study of superconductivity (superfluidity) and has become directly realizable in ultracold atom experiments on optical lattices. However, the critical temperatures, $T_c$'s, remain lower than the lowest temperatures currently achievable in experiments. Here, we explore a possible route to enhance $T_c$ by introducing an additional next-nearest-neighbor (NNN) hopping, $t^\prime$, in a two-dimensional square lattice. We perform sign-problem-free determinant quantum Monte Carlo simulations to compute response functions such as pairing correlation functions, superfluid density, and uniform spin susceptibility. Our results show that a judicious choice of $t^\prime$ can increase $Tc$ by up to $50\%$ compared to the case with only nearest-neighbor hopping. In contrast, the preformed pairs temperature scale, named pairing temperature, $T_p$, decreases with increasing $|t^{\prime}/t|$, which should represent a reduction of the pseudogap region, favoring a more BCS-like behavior at intermediate coupling. We further analyze the interacting density of states to characterize the transition from a pseudogap regime to a fully gapped superconducting state. These findings suggest that NNN hopping could be a viable route to increase $T_c$ to values closer to experimentally accessible temperature scales.

A hallmark in natural systems, self-organization often stems from very simple interaction rules between individual agents. While single-species self-propelled particle (SPP) systems are well understood, the behavior of binary mixtures with general alignment interactions remains largely unexplored with a few scattered results hinting at the existence of a rich emergent phase behavior. Here, we investigate systematically a generalization of the two-species Vicsek model with reciprocal intra- and interspecies (anti-)alignment couplings, uncovering a rich phenomenology of emergent states. Notably, we show that rather than destroying polar order, anti-aligning interactions can promote phase separation and the emergence of global polar order. In doing so, we uncover a novel mechanism for microphase separation. We further find these coexistence patterns can be generalized to multi-species systems with cyclic alignment interactions.

We report transport studies of hybrid Josephson junctions based on semiconducting InAs nanowires with fully overlapping epitaxial ferromagnetic insulator EuS and superconducting Al partial shells. Current-biased measurements reveal a hysteretic superconducting window with a sizable supercurrent near the coercive field of the ferromagnetic insulator, accompanied by multiple Andreev reflections. Tunneling spectroscopy shows a superconducting gap characterized by three peaks, which we attribute to tunneling between exchange-split superconductors. A theoretical model reproduces the observed features and indicates that spin mixing, driven by sizable spin-orbit coupling, is essential to their formation. Our results demonstrate proximity-induced superconductivity through a ferromagnetic insulator and establish a new platform for exploring spin-triplet pairing.

Disconnections, long recognized as the key mediators of grain boundary (GB) kinetics in polycrystalline materials, have traditionally been understood to nucleate through thermal or mechanical activation. In this work, using atomistic simulations, we reveal a distinct nucleation mechanism driven exclusively by solute interstitial segregation across multiple substitutional binary alloy systems (e.g., Al-Ni, Al-Fe). This process exhibits zero-nucleation energy barriers, contrasting sharply with the nucleation mechanisms in pure systems. We identify states that are activated through segregation-induced GB phase transitions: (i) isolated disconnections or phase junctions that promote GB migration and disappear with continuous segregation, and (ii) composite disconnections that are formed via two oppositely oriented isolated disconnections. The disconnections are mechanically robust, suppressing shear-coupled migration and instead resulting in GB amorphization and pure sliding under applied shear loading. The long-range stress fields associated with these composite disconnections further attract solute atoms and assist the nucleation of precipitates. These disconnections, absent in pure materials, follow unique nucleation pathways as confirmed through dichromatic pattern analysis and persist across different alloy chemistries and crystal structures. Our findings demonstrate that solute interstitial segregation provides a powerful and previously unrecognized pathway for barrier-free disconnection formation, thereby fundamentally extending current understanding of GB kinetics in alloy systems.

In this paper we compare three frameworks for modeling flows of complex fluids: (i) local conservations of mass, momentum and energy, (ii) GENERIC, and (iii) Onsager principle. The first is based on the mass, momentum, and energy conservation implied by mechanics, the second on the observed approach of externally unforced fluids to equilibrium states at which their behavior is well described by equilibrium thermodynamics, and the third on the minimal resistance to external influences. The comparison is illustrated on isothermal and incompressible polymeric fluids.

We systematically derive an exact coarse-grained description for interacting particles with thermodynamically consistent stochastic dynamics, applicable across different observation scales, the mesoscopic and the macroscopic. We implement the coarse-graining procedure using the Doi-Peliti field theory, which preserves microscopic noise effects on the meso/macro scale. The exact mapping reveals the key role played by Poissonian particle occupancy statistics. We show the implications of the exact coarse-graining method using a prototypical flocking model, namely the active Ising model, which exhibits a mismatch between the microscopic and macroscopic mean-field coarse-grained descriptions. Our analysis shows that the high- and low-density regimes are governed by two different coarse-grained equations. In the low-density regime, noise effects play a prominent role, leading to a first-order phase transition. In contrast, the second-order phase transition occurs in the high-density regime. Due to the exact coarse-graining methods, our framework also opens up applicability to systematically analyze noise-induced phase transitions in other models of reciprocally and non-reciprocally interacting particles.

The discovery of Ruddlesden-Popper (R-P) nickelate superconductors under high pressure heralds a new chapter of high-transition temperature (high-Tc) superconductivity. Recently, ambient-pressure superconductivity is achieved in R-P bilayer nickelate thin films through epitaxial compressive strain, unlocking the potential for understanding the nature of the unconventional superconductivity. Here, through electrical transport study, we report the discovery of time-reversal symmetry (TRS) breaking superconductivity with electronic glass in bilayer nickelate (La, Pr, Sm)3Ni2O7 films. It emerges in the lower-temperature regime of superconducting transition to the zero-resistance state, and is captured by three remarkable characteristics: 1. Unconventional magnetoresistance hysteresis, the direct evidence of TRS breaking, which is robust under different magnetic field orientations and differs fundamentally from trapped vortices or long-range-ordered magnetism. Successive oxygen reductions simultaneously weaken both the superconductivity and hysteresis, revealing their mutual connections to selective electronic orbitals. 2. Magnetic field history-dependence and zero-field non-reciprocity in the current-voltage responses, further substantiating the intrinsic and spontaneous TRS breaking. 3. Logarithmically slow resistance relaxations upon the removal of magnetic field, the hallmarks of glassy dynamics. Distinguished by the striking magnetic field history- and time-dependent properties, our findings uncover an unprecedented superconducting state in the nickelate superconductors, providing phenomenological and conceptual advances for future research on high-Tc superconductivity.

The discovery of ambient-pressure nickelate high-temperature superconductivity provides a new platform for probing the underlying superconducting mechanisms. However, the thermodynamic metastability of Ruddlesden-Popper nickelates Lnn+1NinO3n+1 (Ln = lanthanide) presents significant challenges in achieving precise control over their structure and oxygen stoichiometry. This study establishes a systematic approach for growing phase-pure, high-quality Ln3Ni2O7 thin films on LaAlO3 and SrLaAlO4 substrates using gigantic-oxidative atomic-layer-by-layer epitaxy. The films grown under an ultrastrong oxidizing ozone atmosphere are superconducting without further post annealing. Specifically, the optimal Ln3Ni2O7/SrLaAlO4 superconducting film exhibits an onset transition temperature (Tc,onset) of 50 K. Four critical factors governing the crystalline quality and superconducting properties of Ln3Ni2O7 films are identified: 1) precise cation stoichiometric control suppresses secondary phase formation; 2) complete atomic layer-by-layer coverage coupled with 3) optimized interface reconstruction minimizes stacking faults; 4) accurate oxygen content regulation is essential for achieving a single superconducting transition and high Tc,onset. These findings provide valuable insights for the layer-by-layer epitaxy growth of diverse oxide high-temperature superconducting films.

Alternative theories of quantum statistics provide an avenue for exploring novel physics beyond bosons and fermions, yet experimental verification of their existence in nature proves a challenging task. Among these theories, it has recently been suggested that $R$-parastatistics can be realized as quasiparticle excitations in many-body systems. In this paper, we build on this idea by showing that signatures of $R$-parastatistics can be observed as flavor-charge separation in 1D systems. We consider a generalized version of the Luttinger model and show that bosonization persists when the $R$-paraparticles have fermi-surface-like structures. These $R$\textit{-parafermions} can satisfy generalized exclusion principles beyond conventional Pauli's. We show that density waves of all $R$-parafermions can always be bosonized, but flavor waves act like bosons only for a certain sublcass of $R$-parafermions. We derive the conditions for bosonization by analyzing the LM spectrum, showing that bosonization applies only to low-temperature systems. Signatures of flavor-charge separation then become apparent as distinct dispersion profiles when we turn on inter-particle interactions. This points to potential observations of flavor-charge separation in 1D systems that host emergent $R$-paraparticles.

Dislocations control the mechanical behavior of crystalline materials, yet their quantitative characterization in bulk has remained elusive. Transmission Electron Microscopy provides atomic-scale resolution but is restricted to thin foils, limiting relevance to structural performance. Dark-field X-ray microscopy (DFXM) has recently opened access to three-dimensional, non-destructive imaging of dislocations in macroscopic crystals. A critical bottleneck, however, is the reliable identification of weak- versus strong-beam conditions. Weak-beam imaging enhances dislocation contrast, while strong-beam conditions are dominated by multiple scattering and obscure interpretation. Current practice depends on manual classification by specialists, which is subjective, slow, and incompatible with the scale of modern experiments. Here, we introduce a deep learning framework that automates this task using a lightweight convolutional neural network trained on small, hand-labeled datasets. By enabling robust, rapid, and scalable identification of imaging conditions, this approach supports scalable DFXM analysis, unlocking statistically significant studies of dislocation dynamics in bulk material

Amorphous interfacial complexions have been shown to restrict grain growth and improve damage tolerance in nanocrystalline alloys, with increased chemical complexity stabilizing the complexions themselves. Here, we investigate local chemical composition and structural short-range order in Cu-rich, multi-component nanocrystalline alloys to understand how dopants self-organize within these amorphous complexions and how local structure is altered. High resolution scanning transmission electron microscopy and elemental analysis are used to study both grain boundaries and interphase boundaries, with chemical partitioning observed for both. Notably, the amorphous-crystalline transition region is observed to be enriched in certain dopant species and depleted of others as compared to the interior of the amorphous complexions. This chemical patterning can be explained in terms of the elemental preference for ordered or disordered grain boundary environments. As only a qualitative measure of structural short-range order can be obtained with nanobeam electron diffraction for these specimens, atomistic simulations with a custom-built machine learning interatomic potential are then used to probe how dopant patterning affects local structural state. Increased grain boundary chemical complexity is found to result in a more disordered complexion structure, with segregation to the amorphous-crystalline transition regions driving changes in local structure that are sensitive to dopant ratios. As a whole, the intimate connection between local chemistry and order in amorphous interfacial complexions is demonstrated, opening the door for microstructural engineering within the amorphous complexions themselves.

Recent advances in machine learning (ML) have accelerated progress in calibrating and operating quantum dot (QD) devices. However, most ML approaches rely on access to large, representative datasets designed to capture the full spectrum of data quality encountered in practice, with both high- and low-quality data for training, benchmarking, and validation, with labels capturing key features of the device state. Collating such datasets experimentally is challenging due to limited data availability, slow measurement bandwidths, and the labor-intensive nature of labeling. QDFlow is an open-source physics simulator for multi-QD arrays that generates realistic synthetic data with ground-truth labels. QDFlow combines a self-consistent Thomas-Fermi solver, a dynamic capacitance model, and flexible noise modules to simulate charge stability diagrams and ray-based data that closely resemble experimental results. With an extensive set of parameters that can be varied and customizable noise models, QDFlow supports the creation of large, diverse datasets for ML development, benchmarking, and quantum device research.}}

Magnonics offers nanometer-scale wave propagation and strong nonlinearities, making it attractive for neuromorphic applications such as artificial neurons. Yet, magnonic elements with interconnections solely within the magnonic system remain challenging, preventing the realization of interconnected magnonic neurons to date. Here, we experimentally demonstrate an all-magnonic neuron that reacts to magnon inputs with thresholded, amplified magnon firing and subsequent self-reset, enabling all-magnonic operation and cascading. Our approach is based on micro-antenna excitation on an ultra-low damping garnet with perpendicular magnetic anisotropy (PMA), where we exploit the positive magnon frequency shift to realize nonlinear activation. Using Brillouin light scattering spectroscopy, we uncover a transient neuron response with tunable fading memory: A 25% change in pump power results in a 3-order-of-magnitude tuning in memory time, which we harness, demonstrating temporal integration of up to 50 magnon pulses. Finally, we realize neuron triggering in a cascade of 3 neurons, highlighting its potential for connected magnonic circuits.

We have fabricated three-dimensional (3D) networks of ultrathin carbon nanotubes (CNTs) within the ~5-Angstrom diameter pores of zeolite ZSM-5 crystals using the chemical vapour deposition (CVD) process. The 1D electronic characteristics of ultrathin CNTs are characterized by van Hove singularities in the density of states. Boron doping was strategically employed to tune the Fermi energy near a van Hove singularity, which is supported by extensive ab-initio calculations, while the 3D network structure was designed to enable the formation of a phase-coherent bulk superconducting state under a 1D to 3D crossover. We report characteristic signatures of superconductivity using five complementary experimental methods: resistivity, AC susceptibility, specific heat, point-contact spectroscopy and DC magnetization, all consistently support a critical temperature Tc at ambient conditions ranging from 220 to 250 K. Besides evidence for the superconducting resistive transition with a Meissner effect, point-contact spectroscopy revealed a multigap nature of superconductivity with a large ~30 meV leading gap, in rough agreement with the prediction of the Bardeen-Cooper-Schrieffer (BCS) theory of superconductivity. The differential conductance response displays a particle-hole symmetry and is tuneable between the tunnelling and Andreev limits via the transparency of the contact, as uniquely expected for a superconductor. Apart from these key signatures of superconductivity at exceptionally high temperature, preliminary experiments also reveal a giant pressure effect which increases the Tc above the ambient temperature.

Spin waves and coupling of the spin waves with electromagnetic waves are considered in the multiferroic materials with the electric dipole moment proportional to the scalar product of spins. Nature of this interaction is discussed within the spin current model. Dispersion dependence for the spin waves propagating as the perturbation of the equilibrium state described by spin cycloid is found analytically. Contribution of the wave vector of the equilibrium cycloid is traced and it is found that it decreases the contribution of the anisotropy constant, which can lead to the instability. Limit regime of the spin waves in systems of collinear spins is described to show the role of the magnetoelectric coupling for two regimes of the electric dipole moment: it proportional to the scalar product of spins or to the vector product of spins. The dielectric permeability as the response on the electromagnetic perturbations associated with the magneto-electric coupling for the same equilibrium state is calculated.

Turbulence is most commonly associated with high Reynolds number flow, however the framework of turbulent dynamics has been conceptually extended to many other fields, such as magnetohydrodynamic turbulence, elastic wave turbulence in solids, and more recently to low Reynolds number active turbulence in biological fluids. Here we report a form of solid turbulent dynamics in a self-propelled two-dimensional elastic sheet. We show numerically that the polar ordering dynamics in the active elastic solid model (AES) exhibit hallmark features of turbulent dynamics: power-law scaling of the energy spectrum and non-Gaussian statistics of velocity increments. However, there is no energy cascade, in line with previous findings for active turbulence in fluids. These results extend the concept of active turbulence to solid-state active matter, and can be important for understanding collective dynamics in biological active solids such as bacterial colonies and epithelial cell layers.

The magnetization field of a quantum Hall ferromagnet (QHFM) can host a variety of spin textures, including skyrmions and magnons. When projected into the lowest Landau level with $\nu = 1$ filling, the topological (Pontryagin) charge density of the magnetization field is proportional to the electric charge density, allowing for long-range spin-spin interactions. Inspired by recent experimental developments that enable all-electrical generation and detection of magnons, in this work we theoretically demonstrate two phenomena that can occur due to Coulomb interactions that are unique to QHFMs: magnons can scatter off of point charges at a distance, and skyrmions can act as transmitters and receivers for magnons to be transduced between separate layers of a bilayer QHFM. The latter Coulomb-mediated spin drag effect occurs at arbitrary distance and could facilitate long-range magnonics, such as detection of spin waves for future experiments in 2D materials.

We establish the integrability of a family of Sachdev-Ye-Kitaev (SYK) models with uniform $p$-body interactions. We derive the R-matrix and mutually commuting transfer matrices that generate the Hamiltonians of these models, and obtain their exact eigenspectra and eigenstates. Remarkably, the R-matrix is that of the critical transverse-field Ising chain. This work reveals an unexpected connection between the SYK model, central to many-body quantum chaos, and the critical Ising chain, a cornerstone of statistical mechanics.

We analyze powder-averaged inelastic neutron scattering and magnetization data for the distorted honeycomb compound Cu$_5$SbO$_6$ using a first-order dimer expansion calculation and quantum Monte Carlo simulations. We show that, in contrast to the previously proposed honeycomb lattice model, Cu$_5$SbO$_6$ accommodates interacting dimerized spin chains with alternating ferromagnetic-antiferromagnetic couplings along the chain. Moreover, unlike the typical couplings observed in other Cu$^{2+}$-based distorted honeycomb magnets, the spin chains in Cu$_5$SbO$_6$ primarily couple through an antiferromagnetic coupling that arises between the honeycomb layers, rather than the expected interchain coupling in the layers. This finding reveals a different magnetic coupling scheme for Cu$_5$SbO$_6$. In addition, utilizing x-ray spectroscopy and transmission electron microscopy, we also refine the crystal structure and stacking-fault model of the compound.

This work quantifies the effect of misfit and threading dislocations on the surface energies of PbTe-PbSe interfaces, with the defect structures of the interfaces being obtained from atomistic and multiscale simulations of their manufacturing processes. Simulation results show that direct bonding produces semi-coherent interfaces with two-dimensional misfit dislocation networks, while heteroepitaxial processes produce complex three-dimensional dislocation structures with both misfit and threading dislocations. Surface energies at these interfaces were determined by computing the interaction energies across these interfaces. Compared with coherent interfaces, directly bonded interfaces exhibit up to ~23% lower surface energy, while the surface energies of epitaxially grown interfaces can be nearly 50% lower. The results demonstrate the significant effects of dislocations on interfacial energy.

We investigate the phase diagram of a relativistic, parametrically driven O($N$)-symmetric theory coupled to a Markovian thermal bath. Our analysis reveals a rich variety of phases, including both uniform and spatially modulated symmetry-broken states, some of which feature an order parameter oscillating at half the drive frequency. When coupled to a background electromagnetic potential, these phases exhibit a Meissner effect, in the sense that the photon acquires a mass term. However, if the order parameter oscillates around a sufficiently small value, a fraction of an externally applied magnetic field can penetrate the sample in the form of a standing wave. We dub this property a \textit{Meissner polariton}, that is, a collective mode resulting from the hybridization of light with order parameter oscillations. Furthermore, near the onset of symmetry breaking, strong fluctuations give rise to a superconducting-like response even in the absence of a Meissner effect or of a Meissner polariton. Our results are relevant to experiments on light-induced orders, particularly superconductivity.

Different analytical features of the Dzyaloshinskii-Moriya interaction are related to different contributions to the Dzyaloshinskii constant in the microscopic Hamiltonian. Consequences appear in the macroscopic Landau--Lifshitz--Gilbert equation. It leads to various phenomena. Three contributions to the Dzyaloshinskii constant are reviewed and combined in the generalized Keffer form of the Dzyaloshinskii constant. The fourth possible form of the Dzyaloshinskii constant is suggested as well. Macroscopic consequences of these three mechanisms are well-known, but further possible generalizations of the Keffer form of the Dzyaloshinskii constant are suggested. Consequences for the spin evolution equations, the momentum balance equations, and polarization evolution equations are considered. Some analog of the Keffer form is suggested for the exchange integral in symmetric Heisenberg Hamiltonian demonstrating the nontrivial contribution of the ligands in this regime.

Soft X-ray angle resolved photoemission spectroscopy (SX-ARPES) is one of the most powerful spectroscopic techniques to visualize the three-dimensional bulk electronic structure in reciprocal lattice space. Compared with ARPES employing low-energy photon sources, the time burden imposed by a lower photoelectron yield, stemming from the photoionization cross-section, has been a persistent technical challenge. To address this challenge, we have developed a noise removal system by using the deep prior-based method and integrated it into the micro focused SX-ARPES ({\mu}SX-ARPES) system at BL25SU in SPring-8. Our implemented system effectively eliminates the grid and spike noise typically present in ARPES data acquired using the voltage Fixed-mode, within about 30 seconds. We demonstrate, through the {\mu}SX-ARPES measurements on a single crystal of CeRu2Si2, that data with sufficient statistical accuracy can be obtained in approximately 40 seconds. In addition, we present the potential of high signal-to-noise ratio ARPES measurement, achieving an energy resolution of 51.6 meV at an excitation energy of 708 eV in {\mu}SX-ARPES measurements on polycrystalline gold. Our developed system successfully reduces the time burden in SX-ARPES and paves the way for advancements in lower photoelectron yield measurements, such as those requiring higher energy resolution and three-dimensional nonequilibrium measurements.

We present an experimental method to fabricate centimetric thin elastic capsules with highly uniform thickness and negligible bending stiffness using silicone elastomers. In our experiments, the capsules thickness is tunable at fabrication, while internal pressure and hoop (circumferential) stress are adjustable via hydrostatic inflation once the capsules are filled and immersed in water. Capsules mechanics are probed through hydro-elastic waves generated by weak mechanical perturbations at the capsule interface. By analyzing the surface wave dynamics in the Fourier domain, we extract the in-plane stress and demonstrate that the hydro-elastic waves are exclusively governed by hoop stress. This \reponse{provides a controllable macroscopic analogue of liquid drops} characterised by an effective surface tension, allowing the capsules to be modeled as large-scale ``elasto-drops'' with an inflation and thickness tunable effective surface tension. \reponse{In this limit, bending stiffness is negligible over the experimentally relevant wavelengths, so that the shell dynamics are governed primarily by in-plane tension.} Our work demonstrates that elasto-drops serve as a robust model system for parametric studies of large-scale \reponse{analogues of} liquid drops with experimentally adjustable surface tension.

The behavior of dimensionless quantities defined as ratios of partition functions is analyzed to investigate phase transitions and critical phenomena. At criticality, the universal values of these ratios can be predicted from conformal field theory (CFT) through the modular-invariant partition functions on a torus. We perform numerical calculations using the bond-weighted tensor renormalization group for three two-dimensional models belonging to different universality classes: the Ising model, the three-state Potts model, and the four-state Potts model. The partition-function ratios obey the same finite-size scaling form as the Binder parameter, and their critical values agree well with the universal values predicted by CFT. In the four-state Potts model, we observe logarithmic corrections in the system-size dependence of these ratios.

Boundary-catalytic branching processes describe a broad class of natural phenomena where the population of diffusing particles grows due to their spontaneous binary branching (e.g., division, fission or splitting) on a catalytic boundary located in a complex environment. We investigate the possibility of the geometric control of the population growth by compensating the proliferation of particles due to catalytic branching events by their absorptions in the bulk or on absorbing regions of the boundary. We identify an appropriate Steklov spectral problem to obtain the phase diagram of this out-of-equilibrium stochastic process. The principal eigenvalue determines the critical line that separates an exponential growth of the population from its extinction in a bounded domain. In other words, we establish a powerful tool for calculating the growth-regulating absorption rate that equilibrates the opposite effects of branching and absorption events and thus results in steady-state behavior of this diffusion-reaction system. Moreover, we show the existence of a critical catalytic rate above which no compensation is possible, so that the population cannot be controlled and keeps growing exponentially. The proposed framework opens promising perspectives for better understanding, modeling and control of various boundary-catalytic branching processes, with applications in physics, chemistry, and life sciences.

Due to entropic effects, it is possible that generic high-energy states of a quantum or classical system are ordered. This leads to spontaneous symmetry breaking at arbitrarily high temperatures. We present minimal models of entropic order that arise from very simple interactions. Our main examples are the Arithmetic Ising Model (AIM) and its quantum analogue, where usual Ising spins are replaced by non-negative integers. Using a large-flavor expansion together with numerical simulations, we find that the high-temperature phase is ordered in the classical and quantum models. We also introduce classical gas models whose interactions drive the system to a crystal at high temperatures.

Crystal structure prediction (CSP) is emerging as a powerful method for the computational design of metal-organic frameworks (MOFs). In this article we employ CSP to perform high-throughput exploration of the crystal energy landscape of zinc imidazolate (ZnIm2). As the most polymorphic member of the zeolitic imidazolate framework (ZIF) family, ZnIm2 has at least 24 reported structural and topological forms, and new polymorphs still being regularly discovered. With the aid of custom-trained machine-learned interatomic potentials (MLIPs) we have performed a high-throughput sampling of over 3 million randomly-generated crystal packing arrangements and identified 9626 energy minima characterized by 1493 network topologies, including 864 topologies that have not been reported before. Experimentally-reported structures of ZnIm2, falling within the search boundaries, were all matched with the predicted structures, demonstrating the power of the CSP method in sampling experimentally-relevant ZIF structures. Finally, through a combination of topological analysis, density and porosity considerations, we have identified a set of structures representing promising targets for future experimental screening. as well as demonstrated how structures of mechanochemically-synthesized MOFs can be identified via matching the experimental powder diffraction patterns with the simulated patterns from the predicted structures.

We map out the global phase diagram of a single mobile impurity in the two-dimensional Bose-Hubbard model, spanning the bath evolution from a compressible superfluid (SF) to an incompressible Mott insulator (MI) and the full range of impurity-bath coupling. Using sign-problem-free worm-algorithm quantum Monte Carlo, we identify two distinct self-trapping mechanisms that organize the entire diagram. In the compressible SF, increasing impurity-bath coupling $|U_{\mathrm{ib}}|$ drives an interaction-driven self-trapping crossover signaled by a collapse of the \emph{impurity} winding number: a light, extended polaron evolves continuously into a heavy polaron and ultimately into a self-trapped state -- a repulsive \emph{saturated bubble} or an attractive \emph{bound cluster} -- even while the bath remains globally superfluid, demonstrating self-trapping without any bath phase transition. By contrast, when the bath is tuned across the SF-MI transition at fixed $U_{\mathrm{ib}}$, localization is compressibility controlled. The vanishing bath compressibility quenches long-wavelength density redistribution and suppresses polaronic dressing, converting the SF polaron into a weakly dressed, nearly free defect upon entering the MI when $|U_{\mathrm{ib}}| \le 8.0$. Then increasing $|U_{\mathrm{ib}}|$ triggers a distinct Mott-specific route: the impurity binds a quantized vacancy or particle excitation, manifested by discrete changes $\Delta N_b=\pm1$ in the total bath occupation. Together, our results provide a unified microscopic picture of impurity self-trapping in correlated lattice bosons, governed by winding collapse in the SF and by compressibility loss and defect quantization across the SF-MI boundary.

We present a microscopic theory of an atomic spin diode. Our proposed system consists of two magnetic adatoms deposited on the surface of a two-dimensional electron gas with Rashba spin-orbit coupling. A local s-d type coupling between the local spins and the spins of the electrons induces a non-local Ruderman-Kittel-Kazuya-Yoshida type interaction and a Dzyalonshinskii-Moriya interaction, in addition to dissipative interactions, between the spins. We derive the effective action for the spins using the Keldysh formalism. From the effective action, we also derive equations of motion for the spins which are shown to be of Landau-Lifshitz-Gilbert (LLG) type, and give expressions for the effective field and Gilbert damping which appear in this equation. From our microscopic theory, we find that for an in-plane magnetic field perpendicular to the vector connecting the two atoms, the magnitude of the field and the distance between the atoms can always be tuned to engender perfectly diodic coupling. Our findings may pave the way to experimental realisation of atomic spin diodes.

Physical properties intermediate between constituents of alloys can be achieved as downward convex positive bowing, upward concave negative bowing, or zero bowing. Such bowing effects are essential for band gap engineering in semiconductor alloys. Upward band gap bowing effects are rather rare, hindering the exploration on half of the available physical property space of alloys. Part of the this being a rare event is related to the need to stabilize an alloy with low mixing enthalpy, so it does not phase separate. In this paper we find via density functional theory that one can satisfy the simultaneous conditions of negative mixing enthalpy and upward band gap bowing in four-component ABX3 halide perovskite alloys in the cubic perovskite structure. Such perovskite alloys have the B-site occupied by a mixture of group IVB and IIB elements that have the IVB-s and IIB-s states in the valence bands and conduction bands, respectively, leaving the delocalized s states strongly repel each other. This s-s repulsion leads to the upward band gap bowing and negative mixing enthalpies simultaneously. Remarkably, we identify a perovskite alloy that has a band gap much larger than all its components. Analogous trends of upward band gap bowing and negative mixing enthalpy also appear in the corresponding three-component and two-component ABX3 halide perovskite alloys. These observations of upward band gap bowing and negative mixing enthalpy will significantly accelerate the design of stable upward band gap bowing alloys in a broad range of material families.

Ising machines and related probabilistic hardware have emerged as promising platforms for NP-hard optimization and sampling. However, many practical problems involve constraints that induce dense or all-to-all couplings, undermining scalability and hardware efficiency. We address this constraint-induced density through two complementary approaches. First, we introduce a hardware-aware native formulation for multi-state probabilistic digits (p-dits) that avoids the locally dense intra-variable couplings required by binary Ising encodings. We validate p-dit dynamics by reproducing known critical behavior of the 2D Potts model. Second, we propose mean-field constraints (MFC), a hybrid scheme that replaces dense pairwise constraint couplings with dynamically updated single-node biases. Applied to balanced graph partitioning, MFC achieves solution quality comparable to exact all-to-all constraint formulations while dramatically reducing graph density. Finally, we demonstrate the practical impact of restored sparsity by an FPGA implementation, enabling orders-of-magnitude acceleration over CPU-based solvers. Together, these results outline a pathway for scaling constrained optimization on probabilistic hardware.

Transition-metal nitrides in {\eta}-carbide type structures exhibit unusual bonding motifs and proximity to magnetic instabilities. Yet they remain unexplored in thin-film form due to the difficulty of stabilizing nitrogen-poor ternaries among competing phases. Here, we report the thin-film synthesis and phase-stability mapping of the {\eta}-nitride systems Fe-W-N and Fe-Mo-N. Amorphous Fe-M-N (M = W, Mo) combinatorial libraries deposited by reactive co-sputtering crystallize upon rapid thermal annealing, enabling systematic identification of synthesis windows as a function of composition and annealing temperature. Using laboratory powder X-ray diffraction and synchrotron grazing incidence wide angle X-ray scattering, we establish that Fe3Mo3N-based {\eta}-carbide phases form over a substantially broader compositional and thermal range than W-based compositions, where {\eta} structures are stabilized only when the films are Fe-rich. These trends are rationalized using mixed chemical-potential vs. composition phase diagrams that capture the narrow nitrogen chemical-potential stability of {\eta}-nitrides. Magnetic measurements reveal that ferromagnetism is induced in Fe-rich Fe3.54Mo2.46N with a small exchange-bias-like response that is absent in Fe3W3N-based compositions, highlighting the sensitivity of magnetic behavior to modest deviations from stoichiometry. This work establishes practical thin-film synthesis routes for {\eta}-nitride materials and demonstrates how composition can be tuned to access emergent magnetic phenomena in these complex nitrides.

The Lorentz mirror model provides a clean setting to study macroscopic transport generated solely by quenched environmental randomness. We introduce a hierarchical version whose distribution of left--right crossings satisfies an exact recursion. In dimensions $d\geq 3$, we prove normal transport: the mean conductance scales as (cross-section)/(length) on all length scales. A Gaussian closure, supported by numerics, predicts that the variance-to-mean ratio of the conductance converges to the universal value $2/3$ for all $d\geq 2$ (the ``$2/3$ law''). We provide numerical evidence for the $2/3$ law in the original (non-hierarchical) Lorentz mirror model in $d=3$, and conjecture that it is a universal signature of normal transport induced by random current matching. In the marginal case $d=2$, our hierarchical recursion reproduces the known scaling of the mean conductance and its variance. A YouTube video discussing the background and the main results of the paper is available: this https URL

Crystal structure prediction (CSP), which aims to predict the three-dimensional atomic arrangement of a crystal from its composition, is central to materials discovery and mechanistic understanding. However, given the composition and atomic counts in a unit cell, existing methods struggle with the NP-hard combinatorial challenge of rigorous symmetry enforcement or rely on retrieving known templates, which inherently limits both physical fidelity and the ability to discover genuinely new materials. To solve this, we propose a symmetry-driven generative framework. Our approach leverages large language models to encode chemical semantics and directly generate fine-grained Wyckoff patterns from atomic stoichiometry and counts, effectively circumventing the limitations inherent to database lookups. Crucially, to overcome the exponentially complex problem of combinatorial site assignments, we incorporate domain knowledge through an efficient, linear-complexity heuristic beam search algorithm that rigorously enforces algebraic consistency between site multiplicities and atomic stoichiometry and counts. By integrating this symmetry-consistent template into a diffusion backbone, our approach constrains the stochastic generative trajectory to a physically valid geometric manifold. This framework achieves state-of-the-art performance across stability, uniqueness, and novelty (SUN) benchmarks, alongside superior matching performance, thereby establishing a new paradigm for the rigorous exploration of targeted crystallographic space which can be previously uncharted, with no reliance on existing databases or a priori structural knowledge.

We present peapods (this http URL), an open-source Python package for Monte Carlo simulation of Ising spin systems with arbitrary coupling constants on periodic Bravais lattices with user-specified neighbor offsets. The computational core is written in Rust and exposed to Python via PyO3, combining the ergonomic interface of Python with the performance of compiled, memory-safe code. The package implements Metropolis and Gibbs single-spin-flip algorithms, Swendsen-Wang and Wolff cluster updates, parallel tempering, and three replica cluster moves for spin glasses: the Houdayer isoenergetic cluster move, the Jorg stochastic variant, and the Chayes-Machta-Redner (CMR) blue-bond algorithm. Overlap statistics between replica pairs enable computation of the spin glass order parameter and Binder ratio. Replica-level parallelism is achieved through the Rayon work-stealing scheduler. We validate the implementation against the exact critical temperatures of the two-dimensional Ising model on the square and triangular lattices via finite-size scaling of the Binder cumulant.

In this work, we numerically verify the Jarzynski equality and Crook fluctuation theorem for a Brownian particle diffusing in a heterogeneous thermal bath and hence having a non-Gaussian position distribution. We use the diffusing-diffusivity model to take the account of heterogeneity of the thermal bath where the mobility is considered as a fluctuating quantity. The Brownian particle is confined by a time-dependent harmonic potential. By changing the stiffness coefficient, we perform an isothermal process. We use the stochastic thermodynamics framework to calculate the work. We find that the Jarzynski equality and the Crook fluctuation theorem are convincingly satisfied for a non-Gaussion system. We also find that the work distribution is non-Gaussian for diffusing-diffusivity system even at a larger process time.

In superconductor-semiconductor hybrid structures, superconductivity and spin polarization are competing effects because magnetic fields break Cooper pairs. They can be combined using thin films and in-plane magnetic fields, an approach that enabled the pursuit of Majorana zero modes, Kitaev chains, and Andreev spin qubits (ASQs), but remains challenging for materials with small in-plane g-factors. Here we show that granular aluminum (grAl), composed of nanometer-scale aluminum grains embedded in an amorphous oxide matrix, can overcome this limitation. By depositing grAl on Ge/SiGe heterostructures, we induce a hard superconducting gap with BCS peaks at 305 $\mu$eV and magnetic-field resilience for both the in-plane and out-of-plane directions, allowing Zeeman splitting of Yu-Shiba-Rusinov (YSR) states beyond 50 $\mu$eV (12 GHz). Leveraging this robustness, we reveal signatures of hole physics and demonstrate g-tensor tunability.

We study when a density-matching Kohn--Sham (KS) description can reproduce a many-body Berry phase in a correlated insulator, despite the fact that geometric phases are functionals of the wave function. Focusing on the one-dimensional SSH--Hubbard chain on a ring as a controlled interacting topological model, we introduce a $U(1)$ twist $\theta$ (flux insertion). The many-body ground state along the full twist cycle is computed by the density-matrix renormalization group (DMRG), while the onsite interaction $U$ is tuned from the noninteracting to the strong-coupling regime. At half filling in the inversion-symmetric gapped regime, our DMRG calculations show that the density remains constant within numerical accuracy over the entire $(\theta,U)$ range studied. Thus, the density has no dependence on either the flux $\theta$ or the interaction strength $U$. Accordingly, the symmetry-preserving density constraint collapses the KS reference to an SSH-type quadratic representative with $U$-independent geometric diagnostics. Nevertheless, the many-body wave function exhibits a nontrivial geometric response: the quantum metric associated with the $\theta$-parametrized ground-state manifold depends on $\theta$ at intermediate $U$ and is strongly suppressed at large $U$, consistent with the charge fluctuation freezing. Intriguingly, the KS and many-body Berry phases coincide throughout the gapped regime as $U$ is tuned from weak to strong coupling. We show that this agreement is best understood as symmetry-enforced $\mathbb{Z}_2$ sector matching, rather than as evidence that the density encodes the many-body Berry connection.

Moiré network formation in graphene bilayers breaks stacking symmetry, giving rise to domain walls that host topologically protected one-dimensional states. Here we show that these systems undergo an additional symmetry breaking at the level of the domain-wall network geometry, leading to the spontaneous emergence of chiral network configurations that are not determined by topology alone. Using atomistic structural relaxation and electronic-structure calculations, we show that TDW networks adopt chiral geometries through lattice relaxation. Via developing a comprehensive phase diagram defined by strain and interlayer flexibility, we discover three equilibrium network morphologies: straight, mono-chiral, and dual-chiral. Chiral networks arise from the global minimization of TDW energy under moiré geometric constraints. Tight-binding calculations show that straight networks host junction-centred states, whereas chiral networks shift spectral weight toward asymmetric edge modes. While topologically protected states naturally emerge at AB/BA domain boundaries in moiré bilayers, we demonstrated that the localization of boundary states is network-symmetry dependent. Our results show that symmetry breaking at both the stacking and network levels provides a new way to understand and control low-energy electronic states in moiré bilayers.

Hydrogel diffusiophoresis is the deformation of a hydrogel due to a solute gradient that leads to a gradient of pairwise interactions between the solute particles and the hydrogel polymers to trigger osmotic flux. Unlike typical osmosis, it occurs without any interface selectivity of the gel to the solute and can overcome the diffusive swelling without any structural modifications to the gel. We have recently shown this effect for linear deformations of a chemically responsive polyacrylic acid (PAA) hydrogel that releases ions upon arrival of a stimulus (acid), thus internally generating the solute gradient required for diffusiophoresis [Phys. Rev. Lett. 132, 208201 (2024)]. Here we develop a nonlinear poroelastic theory for large diffusiophoretic gel strains in two models: Model I considers deformations of a generic gel when an external solute gradient is imposed. In Model II, the gel generates the solute gradient internally, motivated by the coupled PAA gel, solute (copper), and stimulus (acid) system. In Model II, we investigate the nonlinear deformations for high stimulus concentrations or by changing the solute particle size to boost steric polymer-solute interactions, as well as under a stimulus flow through the gel driven by a pressure drop across the domain. Model I indicates that deformations can be stored while the stimulus gradient persists. Compared to the experimental strain rates in Katke [Phys. Rev. Lett. 132, 208201 (2024)], Model II demonstrates that varying the stimulus concentration can increase the strain rate up to four times, changing the solute particle size up to $\sim 25$ times, and imposed flow up to $\sim 40$ times. Our theory couples nonlinear poroelasticity, polymer-solute interactions, and reaction-transport dynamics to predict large and fast diffusiophoretic gel deformations, which may find applications in hydrogel-based soft robotics and drug delivery.

We study some interesting aspects of the spectral properties of SU(3) gauge theory, both with and without dynamical quarks (QCD) at thermal equilibrium using lattice gauge theory techniques. By calculating the eigenstates of a massless overlap Dirac operator on the gauge configurations, we implement a gauge-invariant method to study spectral properties of non-Abelian gauge theories. We have unambiguously categorized Dirac eigenvalues into different regimes based on a quantity defined in terms of the ratios of nearest neighbor spacings. While majority of these eigenstates below the magnetic scale are similar to those of random matrices belonging to the Gaussian Unitary ensemble at temperatures much higher than the chiral crossover transition in QCD, a few among them start to become prominent only near the crossover. These form fractal-like clusters with the median value for their fractal dimensions hinting at the universality class of the chiral transition in QCD. We further demonstrate that momentum modes below the magnetic scale in a particular non-equilibrium state of QCD are classically chaotic and estimate an upper bound on the thermalization time $\sim 1.44$ fm/c by matching this magnetic scale with that of a thermal state at $\sim 600$ MeV.

The importance of Fisher information is increasing in nonequilibrium thermodynamics, as it has played a fundamental role in trade-off relations such as thermodynamic uncertainty relations and speed limits. In this work, we investigate temporal Fisher information, which measures the temporal information content encoded in probability distributions, for both classical and quantum systems. We establish that temporal Fisher information is bounded from above by physical costs, such as entropy production in classical Langevin and Markov processes and the variance of interaction Hamiltonians in open quantum systems. Conversely, temporal Fisher information is bounded from below by statistical distances (e.g., the Bhattacharyya arccos distance), leading to classical and quantum speed limits that constrain the minimal time required for state transformations. We perform numerical simulations on two quantum dot models to validate the obtained bounds. Our work provides a unified perspective on speed limits from the point of view of temporal Fisher information in both classical and quantum dynamics.

Kinetically constrained models were originally introduced to capture slow relaxation in glassy systems, where dynamics are hindered by local constraints instead of energy barriers. Their quantum counterparts have recently drawn attention for exhibiting highly degenerate eigenstates at zero energy -- known as zero modes -- stemming from chiral symmetry. Yet, the structure and implications of these zero modes remain poorly understood. In this work, we focus on the properties of the zero mode subspace in quantum kinetically constrained models with a $U(1)$ particle-conservation symmetry. We use the $U(1)$ East, which lacks inversion symmetry, and the inversion-symmetric $U(1)$ East-West models to illustrate our two main results. First, we observe that the simultaneous presence of constraints and chiral symmetry generally leads to a parametric increase in the number of zero modes due to the fragmentation of the many-body Hilbert space into disconnected sectors. Second, we generalize the concept of compact localized states from single particle physics and introduce the notion of collective bound states, a special kind of non-ergodic eigenstates that are robust to enlarging the system size. We formulate sufficient criteria for their existence, arguing that the degenerate zero mode subspace plays a central role, and demonstrate bound states in both example models and in a two-dimensional model, the $U(1)$ North-East, and in the pair-flip model, a system without particle conservation. Our results motivate a systematic study of bound states and their relation to ergodicity breaking, transport, and other properties of quantum kinetically constrained models.

The factorization proposal claims that the co-dimension one "pinning defect", on which a local relevant operator is integrated, factorizes the space into two halves in general conformal field theories in the infrared limit. In this letter, we study a two-dimensional long-range Ising model at criticality with a line defect or an interface, which physically corresponds to changing the local temperature on it. We show that in the perturbative regime, it is not factorizing even in the infrared limit. An intuitive explanation of the non-factorization is that the long-range Ising model is equivalent to a local conformal field theory in higher dimensions. In this picture, the space is still connected through the "extra dimension" across the defect line.

We consider a class of spontaneously broken $SU(2)$ gauge theories with adjoint scalar and look for exact magnetic monopole solutions in the Bogomol'nyi-Prasad-Sommerfield (BPS) limit. We find that some of the resulting solutions exhibit a new internal degree of freedom (a moduli space parameter) that controls the energy density profile of the monopole while keeping the total energy (mass) constant.

The simulation of quantum field theories, both classical and quantum, requires regularization of infinitely many degrees of freedom. However, in the context of field digitization (FD) -- a truncation of the local fields to $N$ discrete values -- a comprehensive framework to obtain continuum results is currently missing. Here, we propose to analyze FD by interpreting the parameter $N$ as a coupling in the renormalization group (RG) sense. As a first example, we investigate the two-dimensional classical $N$-state clock model as a $\mathbb{Z}_N$ FD of the $U(1)$-symmetric $XY$-model. Using effective field theory, we employ the RG to derive generalized scaling hypotheses involving the FD parameter $N$, which allows us to relate data obtained for different $N$-regularized models in a procedure that we term $\textit{field digitization scaling}$ (FDS). Using numerical tensor-network calculations at finite bond dimension $\chi$, we further uncover an unconventional universal crossover around a low-temperature phase transition induced by finite $N$, demonstrating that FDS can be extended to describe the interplay of $\chi$ and $N$. Finally, we analytically prove that our calculations for the 2D classical-statistical $\mathbb{Z}_N$ clock model are directly related to the quantum physics in the ground state of a (2+1)D $\mathbb{Z}_N$ lattice gauge theory which serves as a FD of compact quantum electrodynamics. Our study thus paves the way for applications of FDS to quantum simulations of more complex models in higher spatial dimensions, where it could serve as a tool to analyze the continuum limit of digitized quantum field theories.

Active living matter continuously creates and annihilates topological defects in a process that remains poorly understood. Here, we investigate these dynamics in two distinct active living systems: swarming bacteria and human bronchial epithelial cells. Despite their entirely different evolutionary origins, biological functions, and physical scales, both systems exhibit half-integer defects, consistent with the nematic phase. However, in contrast to active nematic theory, we find that defect creation and annihilation undergoes spatial symmetry breaking. We propose that these results stem from a fundamental dualism between nematic structural organization and generated polar forces, which are intrinsic to living systems. Furthermore, estimation of entropy production reveals that creation and annihilation are not reversed processes. Our findings challenge conventional nematic models and emphasize the role of defect-mediated dynamics in non-equilibrium biological systems as a major source of entropy production.

The pseudomode method for open quantum systems, also known as the mesoscopic leads approach, consists in replacing a structured environment by a set of auxiliary "pseudomodes" subject to local damping that approximate the environment's spectral density. Determining what parameters and geometry to use for the auxiliary modes, however, is non-trivial and involves many subtleties. In this paper we revisit this problem of pseudomode design and investigate some of these subtleties. In particular, we examine the scenario in which pseudomodes couple to each other, resulting in an effective spectral density that is no longer a sum of Lorentzians. We show that non-diagonalizability of the pseudomodes' effective single-particle non-Hermitian Hamiltonian can lead to terms in the effective spectral density which cannot be obtained by diagonalizable non-Hermitian Hamiltonians. We also present a method for constructing the pseudomode parameters to exactly match a fit to a spectral density, and in doing so illuminate the enormous freedom in this process. The case of many uncoupled pseudomodes evenly distributed in energy is explored, and we show how, contrary to conventional assumption, the effective spectral density does not necessarily converge in the limit of an infinite number of pseudomodes distributed this way. Finally, we discuss how the notion of effective spectral densities can also emerge in the context of scattering theory for non-interacting systems.

Two-dimensional (2D) materials have been proposed, among many other applications, as a efficient tool for the separation of atomic and molecular species and their corresponding isotopes, given the confinement provided by their subnanometric dimensions. In this work we present three dimensional quantum wave packet calculations revealing an enhancement in the quantum transport in bilayer over monolayer graphdiyne membranes, one of the most popular 2D materials which is commonly employed for this purpose. Besides, resonances emerge superimposed over the typical monolayer profile for transmission probabilities, a feature that is general to other bilayer nanoporous 2D heterostructures and that shows a strong dependence on the interlayer separation.

Practical quantum computers need to continuously exchange data between classical and quantum subsystems during a computation. Mid-circuit measurements of a qubits state are transferred to the classical electronics layer, and their outcome can inform feedforward operations that close the loop back to the quantum layer. These operations are crucial for fault-tolerant quantum computers, but the quantum-classical loop must be completed before the qubits decohere, presenting a substantial engineering challenge for full-scale systems comprising millions of qubits. Here we perform the first mid-circuit measurements in a system of silicon spin qubits, and show that feedforward operations can be performed without needing to route information to the classical layer. This in-layer approach leverages a backaction-driven control technique that has previously been considered a source of error. We benchmark our in-layer strategy, together with the standard FPGA-enabled approach, and analyse the performance of both methods using gate set tomography. Our results provide the first step towards moving resource-intensive classical processing into the quantum layer, an advance that could solve key engineering challenges, and drastically reduce the power budget of future quantum computers.

A size-extensive, converging, black-box, ab initio coupled-cluster ($\Delta$CC) ansatz is introduced that computes the energies and wave functions of stationary states from any degenerate or nondegenerate Slater-determinant references with any numbers of $\alpha$- and $\beta$-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Rayleigh-Schrödinger perturbation ($\Delta$MP) theory. For ionized and electron-attached references, it can be viewed as a coupled-cluster Green's function, although the present theory is convergent toward the full-configuration-interaction (FCI) limits, while Feynman-Dyson many-body Green's function (MBGF) theory generally is not. Additionally, a new state-universal multireference coupled-cluster theory for general model spaces is developed by slightly modifying the $\Delta$CC ansatz. This quasidegenerate coupled-cluster (QCC) theory is size-extensive, converging, but not black-box, which is expected to be well suited for strong correlation. Determinant-based, general-order algorithms of $\Delta$CC and QCC theories are implemented, which are compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with $\Delta$MP and MBGF theories up to the nineteenth order. For transition energies, the order of performance is: QCC $\approx$ $\Delta$CC $>$ EOM-CC $>$ CI at the same excitation order or QCC $\approx$ $\Delta$CC $>$ $\Delta$MP $>$ MBGF at the same cost scaling.

We present theoretical and experimental evidence for a new phase of matter in neutron-rich systems that we call multimodal superfluidity. Using ab initio lattice calculations, we show that the condensate consists of coexisting s-wave pairs, p-wave pairs in entangled double pair combinations, and quartets composed of bound states of two s-wave pairs. We identify multimodal superfluidity as a general feature of single-flavor spin-1/2 fermionic systems with attractive s-wave and p-wave interactions, provided the system is stable against collapse into a dense droplet. Beyond neutrons at sub-saturation densities, we demonstrate that this phase appears in generalized attractive extended Hubbard models in one, two, and three dimensions. We elucidate the mechanism for this coexistence using self-consistent few-body Cooper models and compare with Bardeen-Cooper-Schrieffer theory. We also derive the form of the effective action and show that spin, rotational, and parity symmetries remain unbroken. Finally, we analyze experimental data to show that p-wave pair gaps and quartet gaps are present in atomic nuclei, and we discuss the consequences of this new phase for the structure and dynamics of neutron star crusts.