Papers

The interplay of topological surface states and magnetism gives rise to unconventional transport behaviors such as the anomalous Hall effect (AHE) and anomalous Nernst effect (ANE). Antiperovskites such as Mn$3$SnC, which are nodal-line semimetals and exhibit concurrent antiferromagnetic (AFM) and ferromagnetic (FM) ordering, provide a fertile ground for anomalous transport phenomena. Here, we report that the anomalous transport (AHE and ANE) in this compound is predominantly governed by the intrinsic Berry-curvature effect. We establish a unified relationship between the AHE and ANE using Mott's relation. Electron scattering by both AFM and FM magnons is manifested in the anomalous Nernst signal. The ratio of the anomalous Nernst conductivity to the anomalous Hall conductivity, $|\alpha^A{xy}|/\sigma^A_{xy}$, constitutes a sizable fraction of $k_B/e$, indicating a strong Berry-curvature contribution to the ANE.

We use density functional theory and model Hamiltonians to reveal large spin splitting of bands localized at ferromagnetic surfaces of bulk antiferromagnets (AFMs). There is great interest in material platforms combining the robustness and ultrafast dynamics of AFMs with large, functional spin splitting which is often restricted to ferromagnets (FMs). Here, we show that a subset of AFM surfaces which have symmetry-allowed magnetization can host large spin splitting via bulk degeneracy lifting of sublattice-resolved exchange splittings. We find that the spin splitting is maximized for two ferromagnetic surface motifs: terminations with single uncompensated magnetic sublattices, and two-sublattice surfaces whose sublattices are magnetically compensated in the bulk, but acquire distinct crystal field environments via surface truncation. The latter case can yield FM-like spin splitting magnitudes while also having small uncompensated magnetization. We confirm these predictions with first-principles calculations of $\mathrm{Cr_2O_3}$ and $\mathrm{FeF_2}$, finding splittings as large as $1~\mathrm{eV}$ depending on the surface in question. Our findings point to intrinsic surface symmetry breaking as a route to large, functional spin splitting in an expanded range of AFM materials.

We study the time-dependent triplet configuration, appearing under nonequilibrium conditions in a nanoscopic junction with two quantum dots coupled in series between superconductor and normal metallic lead. We show that in the situation, when both quantum dots are singly occupied by identical spin electrons, the on-dot electron pairing is suppressed what substantially affects the subgap charge transport. We investigate processes in which such configuration can be temporarily encountered, either due to the initial conditions or by imposing the external magnetic field. Our analytical and numerical calculations provide estimations for the temporal scales, characterizing evolution of the triplet configuration which could be manifested in the time-resolved tunneling measurements. Such nonequilibrium features of the triplet configuration might be relevant to operations on superconducting qubits, in their conventional and/or topological realizations.

The Haldane-Shastry spin chain is a prototypical integrable model with long-range interactions, notable for hosting quasiparticles with fractional statistics and serving as a discrete analogue of a conformal field theory. Its remarkable simplicity is closely tied to a full Yangian spin symmetry. While the highest-weight states for this symmetry are known explicitly, a systematic treatment of the descendant states, needed for the computation of various physical quantities, has remained incomplete. In this work, we provide a detailed construction of these descendants in terms of the algebraic Bethe ansatz following recent work of Ferrando et al. In the limit of extreme twist, it includes the Gelfand-Tsetlin basis. As an application, we derive product and determinant formulae for norms and overlaps of these states.

Electric field control of magnetic order in two-dimensional (2D) van der Waals magnets is a central goal for low-power spin-based technologies. In the ambient-stable antiferromagnet CrSBr, strong magnetic anisotropy and robust exciton-spin coupling provide a favorable platform, yet deterministic electric field control of its magnetic phases has not been achieved. Here we demonstrate electric-field-driven reversible switching between antiferromagnetic and ferromagnetic states in dual-gated bilayer CrSBr without intentional carrier doping. In parallel, photoluminescence measurements resolve a tightly bound interlayer exciton with an intrinsic dipole moment of only ~1 e angstrom. The electric field dependence of the magnetic phase transition reveals two coexisting mechanisms: a linear magnetoelectric effect in the antiferromagnetic state and an electric-field-modulated interlayer exchange coupling. Their interplay accounts for the asymmetric evolution of the critical magnetic field. Our results establish bilayer CrSBr as a promising 2D material for electrically controlled spin-optoelectronic functionalities.

Superconductors are many-body quantum states in which current flows without dissipation. Theory predicts that supercurrents follow a relatively simple spatial pattern in both conventional and unconventional superconductors. Recent studies into the AV3Sb5 (A = Cs, K, Rb) family of Kagome superconductors indicate that CsV3Sb5 has unconventional transport properties that cannot be accounted for with these simple theories, including reports of intrinsic Josephson junctions, higher order Cooper pairing and the zero field diode effect. Attempts to interpret these findings have focused on the interplay of superconductivity with the unconventional charge density wave (CDW) order in these materials, with which superconductivity competes. A current roadblock to understanding how these kagome superconductors give rise to their intriguing properties is the lack of spatially resolved information about transport. Here we show, using a recently developed superconducting quantum interference device (SQUID) microscope, that flakes of CsV3Sb5-xSnx host a network of narrow supercurrent channels. These supercurrent channels emerge at the critical temperature and remain stable for all temperatures and currents. Their non-linear behaviour is consistent with a network of Josephson junctions linked by narrow supercurrent filaments, which naturally leads to the observed transport anomalies. Intriguingly, these observations are much weaker in undoped samples, which suggests links to the physics of charge density waves, disorder, and electronic correlations, all of which are greatly influenced by the doping strength. These results establish new frontiers for the local investigation of charge transport and competing orders in strongly correlated electron systems, and shine a new light on the anomalous transport properties of the AV3Sb5 kagome superconductors.

For quantum algorithms to achieve their full potential, we need methodologies to optimize them, such as reaching a given output accuracy with minimal resource costs. Here, we develop such a methodology for a class of Noisy Intermediate-Scale Quantum (NISQ) algorithms. We leverage simulations of a Variational Quantum Eigensolver (VQE) to propose a phenomenological model of such algorithms that captures the complex relationship between algorithmic accuracy, algorithmic resource costs, and the noise that exists in realistic quantum hardware. For this, we take the algorithmic resource cost to be the total number of quantum gate-operations in the algorithm; minimizing this cost typically makes the algorithm faster and more energy-efficient. We consider the subtle trade-off between quantum circuit size (small circuits are too imprecise, but large ones are too noisy), and the number of iterations of that quantum circuit for the full algorithm to sufficiently converge. Using a noise-metric-resource methodology, we identify the sweet spot (of circuit size versus iterations) that minimizes the algorithmic resource costs for a desired algorithm accuracy. It also gives the circuit size that maximizes algorithm accuracy for a fixed resource cost. Our methodology provides a practical guideline for near-term deployment of variational algorithms on realistic noisy hardware, including hardware that uses error mitigation.

Laser-driven lightsails have emerged as a promising route for accelerating ultralight spacecraft to high speeds using beamed optical energy. Realizing this concept pushes the limits of light-matter interaction, materials science, structural engineering, and nanomechanical design. A central challenge is to create nanophotonic reflectors that combine ultralow mass, large illuminated area, and survival under high optical power densities. No previous experiment has combined these constraints in a single structure sufficient to produce measurable radiation-pressure displacement. Here, we report the largest subwavelength tethered lightsails to date: nanoscale-thickness, millimeter-wide silicon nitride membranes patterned with billions of holes. Despite their subwavelength thickness, they achieve 99% reflection through resonant photonic modes, combining ultralow areal density with high reflectivity. Their compliance enables radiation-pressure displacements of up to 1.75 micrometer, a 50,000-fold increase over previous lightsail optomechanical responses. These thin mirrors are shown to withstand and maintain high reflectivity under directed laser intensities comparable to optical intensities at the surface of the Sun. Together, these results establish a testbed for high-power nanophotonics, directed-energy systems, and light-driven propulsion, defining the practical limits of ultrathin photonic materials under intense optical loading.

We forecast future volatilities and correlations of financial markets based on the current trends in these markets. This complements previous work that models future expected returns by a cubic polynomial of the current trend strength. Empirically, we observe that volatilities and correlations tend to increase day after day in times of strong up- or down-trends. This effect is particularly pronounced in down-trends. It can be accurately quantified by quadratic polynomials of today's trend strengths, which refine common mean-reversion models of volatilities and correlations. Our results improve the prediction of market risk by accounting for market trends. They also support a recent proposal to model financial markets by a lattice gas near its critical point.

This study establishes a route to the Hartree–Fock (HF) limit for molecules and solids within the linearized augmented plane wave (LAPW) framework. We remove current limitations of the standard LAPW approach to nonlocal exchange by constructing radial basis functions and core orbitals consistently with the HF Hamiltonian. The presented method yields total energies of molecules and solids with a precision of a few $\mu$Ha, and we use it to provide reference data for 14 semiconductors and insulators. For the systems considered in this study, the standard approach based on (semi)local potentials for constructing radial basis functions and core orbitals remains highly precise for practical relative energies, including molecular and solid-state formation energies and Si self-interstitial defect formation energies. More broadly, the results provide stringent all-electron benchmarks for basis-set and pseudopotential assessment, improve error control in hybrid-functional calculations within LAPW, and open the way to X-ray spectroscopy simulations within LAPW based directly on hybrid-functional core orbitals.

We investigate terahertz (THz) harmonic generation in the InSb/CdTe heterostructure, demonstrating, for the first time, efficient in-plane magnetic field-induced second-harmonic generation (SHG). We also achieve significant third-harmonic generation (THG), rivalling Dirac materials such as graphene and Cd3As2. Our theoretical analysis identifies the primary SHG mechanism as the orbital-Zeeman correction to Drude conductivity, while the dominant THG contribution also shows Drude-like behavior. The results provide a general route to efficient THz harmonic generation in high mobility materials.

Bacteria often swim in complex environments where surfaces are ubiquitous and rarely flat. Surface topography and curvature can strongly affect bacterial motility, with important consequences for surface exploration, adhesion, and biofilm formation. Here, we investigate the swimming of a non-tumbling Escherichia coli bacterium near an undulating no-slip surface using hydrodynamic simulations of a detailed model bacterium. The latter is described by a rigid spherocylindrical cell body and flexible flagella modeled with the Kirchhoff rod theory, while the surrounding fluid is simulated using the method of multi-particle collision dynamics. At low curvatures of the sinusoidal surface modulations, the bacterium exhibits persistent near-surface swimming and clockwise trajectories, consistent with the known behavior near flat no-slip walls. As the curvature increases, bacteria swimming toward a ridge can escape from the surface, which we use to estimate a critical curvature where surface detachment is more likely. At larger curvatures, we find that the surface geometry promotes oscillatory swimming along the groove direction, which reduces escape opportunities and, therefore, enhances bacterial trapping. Indeed, the confinement around the groove reverses the swimming of the bacterium from clockwise to counter-clockwise, as we demonstrate by two minimal models. Thus our work highlights the importance of the three-dimensional surface topography in bacterial surface exploration.

We develop a molecularly motivated description of the nonlinear index (NLI) in oscillatory shear deformation of entangled polymers. The central assumption is that the shear component of the tube-orientation tensor cannot grow without bound. Convective constraint release (CCR), chain stretch, and tube dilation progressively reduce the number and lifetime of orientational constraints, but the maximum shear alignment of a tube segment is geometrically limited by $S_{xy}\leq 1/2$. This motivates a constraint-limited orientation closure in which the NLI first grows approximately with strain amplitude and then approaches the limiting value $\mathrm{NLI}_{\max}=3$ asymptotically rather than through an artificial cutoff. The same framework yields a molecular expression for the characteristic half-saturation strain $\gamma_s$, defined by $\mathrm{NLI}(\gamma_s)=3/2$, in terms of the entanglement number, oscillation frequency, and a critical number of remaining orientational constraints. We further derive architecture-dependent expressions for the nonlinear onset strain $\gamma_c$ for linear, sparsely long-chain-branched, and more regularly branched polymers. The resulting framework provides a compact bridge between Fourier harmonic analysis, CCR-based tube dynamics, and the progressive loss of orientational memory in highly deformed entangled polymer liquids.

We formulate a thermodynamic model of a nano-reactor containing charge-regulated macroions within an electrolyte-permeable enclosure. The model is then formalized within the Poisson-Boltzmann electrostatics augmented by the consistent inclusion of the charge dissociation of molecular groups residing on the surface of the entrapped macroions via charge regulation formalism. By solving the basic equilibrium equations in the linearized Debye-Hückel type approximation, we analyze the salient features of the inhomogeneous electrolyte distribution and macroion charge. We found that the surface charge asymmetry/symmetry of the macroions strongly affects the spatial profile of electrostatic potential. The effective screening length shows the non-monotonic behavior, arising from the complex interplay between the bathing external solution and macroion effective charges, which govern charge regulation equilibria. The total pressure at the nano-reactor enclosure boundary decreases monotonically as the enclosure radius and the ionic bulk salt concentration increase. Also, the resulting pressure is strongly influenced by the surface charge densities of the nano-reactor and the number of confined macroions.

Accurate modeling of dielectric screening in van der Waals (vdW) heterostructures is essential for predicting photonic and optoelectronic properties - yet conventional first-principles methods are often hindered by incommensurate lattices and prohibitive computational costs. In this work, we introduce the microscopic Quantum Electrostatic Heterostructure (mQEH) method. mQEH employs a hierarchical and systematically improvable basis set to describe potentials and induced densities, eliminating the need for arbitrary geometric cutoffs and ensuring accurate screening descriptions at all length scales. The mQEH method is combined with a layer projected Bethe-Salpeter Equation (BSE) to enable calculations of optical spectra of experimentally relevant lattice-mismatched vdW heterostructures. Applying the mQEH-BSE framework to a series of transition-metal dichalcogenide (TMD) heterobilayers, we obtain absorption spectra and momentum-indirect exciton energies in excellent agreement with experiment. The framework provides a computationally efficient route to predictive modeling and design of vdW heterostructures with tailored optical properties.

The scanning tunneling microscope (STM) is a powerful tool for investigating and manipulating molecules on surfaces. We demonstrate with a low-temperature STM operated at 6.2 K the controlled manipulation of ternary clusters of persistent molecular $\pi$ radicals as a whole. The ternary clusters $-$ each self-assembled from three $\alpha,\gamma$-bisdiphenylene-$\beta$-phenylallyl (BDPA) molecules on Au(111) $-$ maintain their natural cluster structure throughout tip-induced translation and rotation relative to the surface. Sustained and repeated dragging of radical clusters is shown to facilitate the construction of artificial assemblies of several clusters. Our results provide new opportunities for the creation and investigation of radical-based spin assemblies on surfaces.

We consider the three-dimensional Bose polaron problem in the regime of finite range interactions and competing length scales. Working in the reference frame of the impurity, we study both static and out of equilibrium properties of the system, in particular the transfer of momentum between the impurity and the host gas. We find that relaxation dynamics can occur via damped oscillations of the impurity velocity with simple dependence on the interaction strength. Furthermore, the equilibration process is sensitive to the type of the impurity-bath interaction. Specifically, interatomic forces describing ion-atom systems lead to much longer timescales and more pronounced oscillations in the strong coupling regime with respect to local interaction potentials. We also find that the effective masses can differ by a large amount between the two scenarios, even if the number of atoms in the polaron cloud remains similar for both cases.

The emergence of non-relativistic spin splitting (NRSS) in altermagnetic systems has introduced a new paradigm in antiferromagnets with vanishing net magnetization. Although sliding-induced valley-polarized phases have recently been demonstrated in two-dimensional altermagnets, the observed valley-polarized state represents only a partial manifestation of altermagnetism, and a comprehensive classification based on spinsplitting characteristics remains lacking. Here, using first-principles calculations, general stacking theory, and spin-Laue symmetry analysis, we propose a coupled quasialtermagnetic state representing a distinct subclass of altermagnetism, in which reversible type-IV NRSS is controlled through interlayer sliding. Accordingly, the sliding-induced phases are classified into two categories: altermagnetic and quasi-altermagnetic states. We establish a direct correspondence between reciprocal-space spin splitting and real-space switching between the two quasi-altermagnetic states. Importantly, the spin-polarized bands in these states remain spin split at {\Gamma} point even in the absence of spin-orbit coupling (SOC), distinguishing them within the proposed classification framework. To demonstrate the interplay between altermagnetic and quasi-altermagnetic states, we investigate the two-dimensional Lieb-lattice material Mn2WS4 and its Janus derivative Mn2WS2Se2, analysing how changes in the local environment influence the different magnetic phases. Importantly, the underlying mechanism is broadly applicable to a wide class of twodimensional square-lattice systems. We further investigate the effects of SOC, focusing on spin texture and transport signatures in coupled quasi-altermagnetic states.

We propose a scheme for realizing thermal logic gates at the nanoscale using a phononic ring system. Two atomic sites, placed in close proximity to the ring, serve as the inputs for two-input logic operations, while a single proximity site is employed for single-input logic functionality. The logic output is encoded in the phonon transmission probability, which is calculated within the framework of non-equilibrium Green's function formalism. By appropriately tuning the ring-electrode junction configuration, all seven standard logic gates, comprising three fundamental and four combinatorial operations, are successfully realized in different phonon frequency regimes. Our results suggest that the proposed logic operations remain valid over a broad range of phonon frequencies, highlighting the generality and reliability of the proposed approach.

Valley polarization in 2D TMDs is promising for low-power valleytronic and spin-valley information processing, but time-reversal symmetry in pristine nonmagnetic TMDs keeps the K+ and K- valleys degenerate, limiting device applications. In this work, we investigated the structural stability, electronic properties, and tunable valley polarization of V-alloyed MoTe2 monolayer, Mo0.75V0.25Te2, using first-principles density functional theory (DFT) calculations. Substitutional alloying of MoTe2 with V introduced magnetic exchange interaction, which, together with spin-orbit coupling (SOC), lifted the valley degeneracy at the unequal valleys. The alloyed structure was found to be energetically and dynamically stable due to the absence of imaginary phonon modes. In pristine MoTe2, SOC produced spin splittings of 34.0 meV and 218.9 meV in the conduction bands and valence bands, respectively, but no valley polarization was observed. In contrast, Mo0.75V0.25Te2 exhibited spontaneous valley polarization of 37.3 meV in the conduction band and 78.2 meV in the valence band. The valley polarization was further enhanced by external electric fields and biaxial strain. A transverse electric field along the crystal c axis produced the maximum valley splitting of 132.8 meV in the valence band, whereas biaxial tensile strain increased the valence band valley splitting up to 160.8 meV. The maximum conduction band valley splitting reached 54.4 meV under 2% biaxial compressive strain. These results demonstrated that V alloying, combined with electric-field and strain engineering, provides an effective strategy for achieving large and tunable valley polarization in MoTe2. Thus, Mo0.75V0.25Te2 can be considered a promising 2D platform for tunable valleytronic device applications, such as transistors and sensors.

Recent experiments combining electrophoresis with pressure-driven flows in microchannels have revealed that microparticles undergo lateral migration perpendicular to the applied electric field. Although fluid inertia has been proposed as a possible explanation, inertial effects are negligibly small in these regimes, leaving the underlying physical mechanism an open question. In this study, we address these observations by extending previous theoretical work on concentration polarization,i.e., the external-field-induced modification of the ionic concentration field surrounding a dielectric object. We consider a dielectric particle with surface conductance subjected simultaneously to an external electric field and a shear flow. We show that the shear flow breaks the symmetry of the ionic concentration around the particle in the direction perpendicular to the applied field, thereby driving lateral migration. We demonstrate that the resulting migration velocity comprises two distinct contributions: an electrophoretic and a diffusiophoretic component. Our theory yields an explicit expression for the velocity magnitude as a function of the zeta potential and the Dukhin number, predicting typical speeds on the order of $\mathrm{\mu}$m/s for representative experimental parameters. Notably, the model also predicts a reversal in the migration direction for Dukhin numbers of order unity.

The quantum spin Hall effect (QSHE) has attracted widespread attention due to its dissipationless transport, which is protected by non-trivial topological invariants and helical edge states. Because even weak magnetic disorder can destroy the stability of topological quantum states, current research on the QSHE has primarily focused on non-magnetic materials. In this work, we extend the research scope of the QSHE to altermagnets. We establish the relevant symmetry constraints and identify all magnetic point groups that can realize the altermagnetic QSHE. Symmetry analysis reveals that pronounced spin-valley locking or spin-valley-layer locking universally exists in these systems. The concerted interaction between band inversion and spin-valley locking collectively gives rise to the helical edge states. Using first-principles calculations and theoretical models, we demonstrate that monolayer Nb2SeTeO exhibits an altermagnetic QSHE characterized by spin-valley locking, while bilayer Hf3Se3Te2 manifests an altermagnetic QSHE featuring spin-valley-layer locking. This work clarifies the intrinsic symmetry correlation between altermagnetism and quantum spin Hall topological phases, providing a brand-new theoretical perspective and research platform for exploring magnetic topological systems and developing next-generation spintronic devices

A magnetic skyrmion tube is a three-dimensional topological soliton formed by stacking two-dimensional skyrmions along the out-of-plane direction. Recent real-space observations of skyrmion tubes have stimulated growing interest in their dynamics and emergent properties. Here, we go beyond simple skyrmion stacking and investigate how a “twist" introduced along the tube direction affects the dynamics and emergent responses of skyrmion tubes. We find that such a twist can be created as a localized texture, termed a twist soliton, through thermal quench dynamics. By complementarily combining large-scale numerical simulations with analytical calculations based on collective coordinates, we clarify its current-driven nonlinear motions that depend on its twist chirality. Remarkably, its velocity can be substantially enhanced by a magnetic-field component perpendicular to the tube. Furthermore, the associated emergent electric field enables identification of the twist soliton, including the sign of its chirality, through Hall measurements. Our results reveal the twist degree of freedom as an essential ingredient of skyrmion-tube physics and pave the way for the development of spintronic devices exploiting the three-dimensional nature of spin textures.

Quantum error-correcting codes (QECs) are essential components of quantum computation and have deep connections to quantum phases of matter. A key obstruction to passive self-correcting QECs is the presence of string logical operators, which can generate logical errors through constant-energy-barrier processes. Haah's Codes (fracton codes) showed that three-dimensional stabilizer codes can forbid such string logical operators, but their translation-invariant structure supports self-similar fractal logical operators with a logarithmic energy barrier. We introduce the qutrit random cubic codes, a family of local qutrit Calderbank-Shor-Steane stabilizer Hamiltonians with similar cube-check structure as Haah's Code 1 but built from spatially varying stabilizers. We prove that these models retain the no-string property and numerically observe that they have properties distinct from translation-invariant fracton codes: the smallest ground-state degeneracy exponent is $k=2$ for odd $L$ and $k=4$ for even $L$; noncontractible plane-logical operators span the entire logical space; and charge-push diagnostics show that the self-similar fractal operators are absent. These results demonstrate that constrained randomness can fundamentally change the nature of stabilizer codes and improve their self-correction properties. They further point to broader families of quantum error-correcting codes and quantum phases beyond canonical topological and fracton orders.

This work follows the evolution of financial networks in Norway over a period of nine years at a monthly rate. The data consist of board directors and their affiliations to companies, which we model as simplicial complexes. In this framework, directors are represented as nodes and companies as faces of the complex. To characterize the latter, we focus on three topological measures: the Euler characteristic, computed through the Betti numbers, torsion computed through the reduced determinant of the higher-order Laplacians, and higher-order clustering coefficients. The first two fail to capture the effect of imposed law on representation, unlike our notion of curvature which is a geometrical measure computed from the coefficients of the series expansion of the heat kernel in powers of time, which is our major contribution in this work. In particular, the Euler characteristic integrates curvature, and thus local information is lost. Subsequently, not every topological measure can reliably capture shocks in networks. Further, the number of spanning trees may undergo significant changes at the lowest order, yet these changes need not be reflected in the torsion. Conversely, the change in the curvature revealed variation in the board interlock due to legislation, and serves as a sensitive measure for detecting shocks in networks. Inflection points in curvature are associated with external forcing, and minima with shock arrival times. Sharp transitions are also observed in the components of torsion, while smooth changes are observed in higher-order clustering.

We introduce a shape-based polar order parameter that captures the structural asymmetry of cells within epithelial monolayers. By combining bright-field imaging and traction force microscopy, we demonstrate that shape polarity serves as a unifying biomechanical metric, integrating the physical information encoded by nematic directors, principal stresses, and cellular motion. Furthermore, we show that the tissue organizes into a mixed polar-nematic phase, characterized by the coexistence of integer ($\pm 1$) and half-integer ($\pm 1/2$) defects. Through mechanical perturbations, we demonstrate that both substrate stiffness and cell-cell adhesion modulate the density of these excitations and the length of domain walls binding like-signed positive half-integer defects. Using a minimal continuum model of polar-nematic active matter, we establish that this mixed phase is fundamentally driven by the interplay of active stresses and polar-nematic elasticity. These findings provide a direct experimental evidence that epithelial monolayers behave as nematopolar matter, in which coupled polar and nematic elastic interactions jointly shape the active state

Mineral surfaces govern interfacial reactivity in carbon mineralization, geo-energy storage, contaminant immobilization, heterogeneous catalysis and electrochemical interface engineering. Yet atomistic simulations often rely on commonly used facets or facet-level stability criteria, while distinct atomic terminations of the same crystallographic orientation are rarely resolved systematically because experimental characterization and density functional theory (DFT) calculations remain costly across large surface spaces. Here we present MinSurf, a high-throughput framework that resolves mineral surface selection as a surface-energy and morphology problem. MinSurf integrates surface enumeration, DFT labelling, machine-learning interatomic potentials and Wulff construction to predict stable terminations, surface-energy landscapes and equilibrium crystal morphologies. Applied to ten representative minerals, MinSurfSet comprises 764 surface slabs, with 90 corresponding oriented unit cells constructed as bulk references for surface-energy evaluation. The resulting MinNEP model predicts DFT surface energies with a mean absolute error of 0.0119 eV per Angstrom squared and achieves an overall acceleration of 1.14 x 10^4 relative to DFT. MinNEP preserves the DFT-derived morphology-determining surface-energy hierarchy and reproduces the dominant Wulff-exposed facets, while X-ray diffraction provides an independent crystallographic consistency check for alpha-quartz benchmark. By linking atomic terminations, surface energies and equilibrium morphologies, MinSurf provides reproducible and physically representative surface models for high-throughput simulations of mineral interfaces across energy, environmental and advanced inorganic materials.

Altermagnets exhibit spin-split electronic structure without requiring spin-orbit coupling, but transport measurements generally mix intrinsic spin splitting with extrinsic scattering. We examine this identifiability problem for a two-dimensional d-wave altermagnet within a unified semiclassical framework spanning ballistic to diffusive transport. The spin-dependent Fermi-surface anisotropy produces a pronounced size effect, where vastly different longitudinal velocities cause the two spin channels to exhibit markedly different effective relaxation lengths within the same device geometry. However, the altermagnetic coupling $\alpha$ and the momentum relaxation time $\tau_0$ strongly compensate each other in longitudinal conductance, creating a severe parameter degeneracy. To lift this degeneracy, we formulate a physics-informed neural network (PINN) to act as a differentiable Boltzmann solver that strictly enforces contact injection, local particle conservation, and global current continuity. Driven by sparse conductance spectra, this neural solver leverages the Fermi-level dependence of transport to unlock the coupled parameters simultaneously, achieving sub-percent accuracy even under moderate measurement noise. These results show that combining the Fermi-level dependence of transport with strict physical constraints provides a robust route to separating spin splitting from scattering in altermagnetic conductors.

Interlayer interactions in layered materials are often assumed to transfer from the bilayer to the bulk, but this assumption can fail when chemically active out-of-plane orbitals participate in bonding. We combine diffusion quantum Monte Carlo (DMC) and density functional theory (DFT) to determine how interlayer coupling evolves in arsenene multilayers. DMC shows that bulk gray arsenic is compact, whereas the corresponding few-layer structures remain at substantially larger interlayer separations despite sharing the same nominal A$_{1}$B$_{-1}$ adjacent-layer registry. Registry alone therefore does not determine the bonding regime; thickness and coordination reshape the interlayer interaction. Among the tested functionals, SCAN+rVV10 most closely reproduces DMC equilibrium separations and stacking energetics. Using the DMC-benchmarked SCAN+rVV10 calculations, we predict a thickness-driven stacking sequence from A$_{1}$A$_{1}$ to A$_{1}$B$_{1}$ and finally bulk-like A$_{1}$B$_{-1}$. The structural crossover coincides with a stacking-dependent DFT band-gap collapse driven by enhanced interlayer As p$_{z}$ hybridization.

Strong light-matter and electron-phonon coupling generate ground states dressed by virtual bosonic excitations, making bare-state truncations and perturbative treatments unreliable in the ultrastrong-coupling regime. We introduce a nonperturbative variational ground-state framework based on a state-dependent polaron transformation, combined with a product-state ansatz and a second-order perturbative correction for residual matter-boson entanglement. We show that the optimized transformed frame becomes asymptotically decoupled at infinite coupling, because the leading linear coupling is canceled while off-diagonal matter transitions are suppressed by displaced-oscillator overlaps. The approach is asymptotically correct in both weak- and strong-coupling limits and remains accurate in the intermediate regime, where fixed polaron transformations are least reliable. Dicke-model benchmarks reproduce ground-state energies, fidelities, and the superradiant transition, with second-order energy errors below 0.2%. Holstein-model benchmarks yield errors below 0.5% and clarify how translational symmetry affects wave-function quality. This dressed-basis framework enables nonperturbative modeling of strongly coupled light-matter and electron-phonon systems.