Strongly Correlated Electrons · Cross-listed from hep-th
Maximal Total Quantum Dimension at Bounded Rank in Dijkgraaf-Witten Theories
Ce Shen
We investigate the maximal total
quantum dimension at a bounded categorical rank cutoff $R$ in three-dimensional Dijkgraaf–Witten theories. This optimization problem physically governs the maximal state-optimized
torus topological
entanglement entropy at a fixed
torus ground-state degeneracy, while providing a quantitative constraint on the search space required to classify these topological order phases. We analyze how topological twists (3-cocycles) and gauge-group structures independently govern this trade-off. For elementary-Abelian gauge groups at a fixed
prime $p$, we prove that introducing cocycle twists elevates the maximum total
quantum dimension from square-root growth $\Theta_p(R^{1/2})$ to linear growth $\Theta_p(R)$ in the rank cutoff, driven by the
geometric protection of cyclic holonomies. For untwisted theories, we establish sharp envelopes for symmetric and alternating gauge groups, and derive group-theoretic bounds across almost-simple, solvable, and radical-free families. In particular, almost-simple groups and their direct products obey a quadratic-logarithmic upper envelope: $\log\mathcal{D} = O((\log R)^2)$. Finally, we compare these scales against WZW models and discuss the status of the general quadratic-logarithmic envelope
conjecture.
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Strongly Correlated Electrons · Cross-listed from quant-ph
Transparent Domain Walls through Information Convex Sets
Jintae Kim, Amanda Gatto Lamas, Jacopo Gliozzi et al. (+3 more)
In $(2+1)$-dimensional topologically ordered many-body states, transparent (topologically deformable) domain walls are invisible to local topological probes, yet can modify the ground state degeneracy (GSD) and transmute anyons transported across them. Here, we develop an
entanglement-bootstrap framework using information convex sets (ICSs) on local and noncontractible annuli to extract information about transparent domain walls directly from ground state wavefunctions at fixed points of Abelian topological phases on a
torus, without taking categorical defect data as input. We derive fusion rules governing the action of anyons on extreme points of ICSs on noncontractible annuli and determine their
quantum dimensions. Extreme points invariant under transport around the complementary cycle correspond one-to-one to minimum
entropy states (MESs), and their number equals the GSD. The maximal topological
entanglement entropy (TEE), $\gamma_{\rm LW}^{\max}=\log(\mathcal{D}/d_\alpha)$, probes the net effect of walls crossing the chosen annulus, where $\mathcal{D}$ is the total
quantum dimension and $d_\alpha$ is the
quantum dimension of an extreme point of its ICS. In contrast, the maximal
entanglement asymmetry is $\Delta S_X^{\max}=\log\mathrm{GSD}$. This value is the same for both annulus orientations and reflects the combined effect of the transparent domain walls. We further show that transparent domain walls can give rise to
symmetries supported jointly on the two chosen fundamental cycles that cannot be decomposed into a product of two $1$-form
symmetry operators, one supported on each cycle. By relating their action on MESs to anyon tunneling and the fusion rules, we clarify how these
symmetries connect distinct ground states. Additionally, we apply the framework to Wen's plaquette model, the anisotropic dipolar toric code, and the rank-2 toric code.
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All authors Jintae Kim, Amanda Gatto Lamas, Jacopo Gliozzi, Bowen Shi, Taylor L. Hughes, Jong Yeon Lee
Statistical Mechanics · Cross-listed from quant-ph
Sustained growth of quantum circuit complexity in many-body Hamiltonian dynamics
Wonjun Lee, Saúl Pilatowsky-Cameo and Soonwon Choi
The
quantum circuit complexity of an evolving many-body
quantum system is believed to exhibit a sustained growth, maintained for timescales much longer than the onset of thermalization. Most previous works have focused on models which violate energy conservation, such as random
unitary circuits. Here we study generic, local time-independent
Hamiltonian dynamics. We unconditionally prove that for generic local
Hamiltonians and typical initial product states at high effective temperature, the robust
quantum circuit complexity must grow over a very long period of time, attaining an exponentially large value at late times. Our approach relies on two structural properties that we prove rigorously: (i) generic local
Hamiltonians satisfy generalized spectral no-resonance conditions of arbitrary order, and (ii) typical high-temperature product states are effectively supported in exponentially many energy eigenstates. These properties have been widely assumed without proof in prior works. As corollaries of this result, we show the late-time state displays robust volume-law
entanglement that is irremovable by
polynomial-size
circuits, and we establish a no fast-forwarding result for generic local
Hamiltonians. We also lower bound the complexity of preparing sufficiently large subsystems with local
quantum channels, in contrast with sufficiently small thermalizing regions which we show retain low complexity at late times.
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Strongly Correlated Electrons
Fermion bag study of the two-dimensional Majorana-Hubbard model at finite hopping
Mark Johnston and Emilie Huffman
The two-dimensional Majorana-Hubbard model on the $\pi$-flux
lattice involves the most local interaction possible for a
lattice with one relativistic Majorana
fermion per site. It is predicted to host a Majorana semimetal, dimerized phases, and
quantum-critical points with an emergent $U(1)$
symmetry. Nonperturbative
lattice calculations for this model remain a major open challenge, thus far limited to zero hopping. We present
quantum Monte Carlo simulations of the model at finite hopping using
Hamiltonian fermion bags, which are based on a continuous-time expansion with Boltzmann weights that are Pfaffians of a
matrix with dimension set by the expansion order, and which give the sign of the weight. Sign problem severity is related to the location of zero modes in the free hopping
matrix, and for couplings $g\lesssim 0.7$ and $\beta=L/4$ it is fully removed for
lattices up to at least $256$ sites. The interaction strength $g>0$ enhances the $U(1)$-charged dimerization doublet and suppresses the neutral channel, as the renormalization group predicts. Increasing the interactions also restores $U(1)$
symmetry in the component of the dimerization correlator that is even under bond orientation exchange, but not its odd component. There is a persistent anisotropy in the odd component with the
symmetry of a
lattice nematic. The data is consistent with a gapless semimetal throughout the sign-problem-minimal window.
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Soft Condensed Matter
Experimental Characterization of the Passive Mechanical Behavior of Rat Pelvic Floor Muscles: Effects of Test Conditions and Pregnancy
Jose L. Monclova, Matthew Shankel, Ava M. English et al. (+2 more)
Purpose: Pelvic floor muscles undergo large deformations during vaginal delivery, yet the passive tensile behavior of pregnant and non-pregnant pelvic floor muscle and the influence of testing protocols remain incompletely characterized. This study evaluated how pregnancy, loading rate, preconditioning, and storage affect passive tensile mechanics of rat pelvic floor muscle. Methods: Levator ani samples from pregnant and non-pregnant rats were tested in uniaxial tension to failure across multiple preconditioning amplitudes, two loading rates, and fresh or frozen storage conditions. Peak and transition metrics, strain energy density, toe-region stiffness, and high-strain stiffness were extracted using automated region-detection methods. Rat properties were also compared with digitized human cadaver levator ani data. Results: Pregnant rat samples reached greater peak strains than controls, although the difference was not significant. Preconditioning affected peak strain in a loading-rate-dependent manner: responses tapered near 2% preconditioning strain at 0.5% strain/s, whereas no comparable tapering occurred through 15% at 1% strain/s. Compared with human cadaver data, rat samples reached substantially larger peak strains and lower high-strain stiffness. Conclusion: This study provides one of the first direct experimental comparisons of passive pelvic floor muscle mechanics between pregnant and non-pregnant tissue, while systematically evaluating how multiple testing-protocol variables influence the measured response. Distinguishing protocol-dependent variability from biological differences provides a more reproducible basis for cross-study comparison and constitutive model calibration. Rat pelvic floor muscle is a useful model for pregnancy-associated adaptation, but absolute mechanical values should be translated to human tissue cautiously.
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All authors Jose L. Monclova, Matthew Shankel, Ava M. English, Mona Eskandari, Heidi P. Feigenbaum
Strongly Correlated Electrons
Easy-plane anisotropy of magnetic fluctuations in UTe2
Zehao Wang, Ewan Scott, David W. Tam et al. (+9 more)
The large directional anisotropy of superconducting UTe2 along the
lattice a, b, c directions in
magnetic susceptibility, upper critical fields, and Knight shift suggests
spin-triplet Cooper pairing. If
spin fluctuations bind the Cooper pair, one needs to determine their anisotropy in
spin space to characterize the superconducting state. Here we use polarised and unpolarised inelastic
neutron scattering (INS) experiments to show that antiferromagnetic (AFM)
spin fluctuations at the Y point are highly isotropic within the ac-plane but have no observable magnitude along the b-axis. Our results rule out the assumed Ising anisotropy and constrain the possible pairing channels. AFM exchange is no longer pair forming in the triplet channel and the d vector along b is strongly favoured. We capture the experimental observations within a microscopic framework that encompasses the dual nature of 5f electrons. We include itinerant and localized 5f-moments in a tight-binding model fitted to
quantum oscillations data. In congruence with INS, the exchange between localized moments generically consists of a strong FM intra-dimer interaction, maxima close to the Y and T points, mediated by 5p_y and 6d_{3z^2-r^2} orbitals respectively, and magnetically decoupled ab-planes. We find that anisotropy and dimerization of the moments can lead to gapped excitations that, in combination with Landau damping, can produce the observed overdamped response at the Y point. We suggest that enhancement of the response and its observed near-O(2)-
symmetry could both be driven by proximity to a
quantum critical point where the dimer excitation gap closes and gives place to incommensurate helical order. Analysis of the linearized gap equation for a nearest-neighbour pairing interaction favours the B1u triplet with a dominant d-vector component along b, although the possibility of
spin singlet pairing cannot be ruled out.
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All authors Zehao Wang, Ewan Scott, David W. Tam, Philippe Bourges, Keke Feng, Tyler W. Wannamaker, Paul Steffens, Arno Hiess, Ryan E. Baumbach, M. Brian Maple, Michal P. Kwasigroch, Pengcheng Dai
Statistical Mechanics
Analytical Solution of the Nonlinear Boltzmann Equation For Multicomponent Systems
Linyuan Wei, Yi Wang, Jin Hu et al. (+1 more)
We present exact analytical solutions to the nonlinear relativistic Boltzmann equation for homogeneous, isotropic massless multi-component systems with non-isotropic scattering cross sections. For a two-component system, we identify three distinct classes of exact solutions, each corresponding to specific constraints among initial energy densities, particle number densities, and scattering cross sections. These solutions comprise the
equilibrium state and two novel classes: a hybrid structure featuring a non-
equilibrium Maxwell-Juttner distribution coupled with a nontrivial distribution; the former is unprecedented in kinetic theory, while the latter refers to nontrivial dynamics shared by both species, which is novel in the relativistic context.
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All authors Linyuan Wei, Yi Wang, Jin Hu, Baoyi Chen
Materials Science
Suppressed Defect Emission and Enhanced Blue Luminescence of Zn-Doped CuBr Quantum Dots synthesized in Room-Temperature Synthesis
Aryamol Stephen, Ruchi Kumari, Saparja Roy et al. (+3 more)
Deep-blue-emitting CuBr
quantum dots (QDs) hold promise as nontoxic and heavy-metal-free optoelectronic materials, yet their efficiency is limited by intrinsic defects. We report Zn doping as an effective strategy to mitigate defect-mediated recombination in CuBr QDs synthesized via an eco-friendly supersaturated recrystallization method under ambient conditions. XRD shows
lattice contraction, Rietveld refinement confirms substitutional doping, and XPS verifies Cu$^+$/ Zn$^{2+}$ states without secondary phases. HR-TEM analysis reveals uniform 3.46 $\pm$ 0.12 nm Zn:CuBr QDs with reduced bandgap, after doping, indicating weaker
quantum confinement. The dominant emission peaks appear at 406 nm ($Z_f$) and 431 nm ($Z_{1,2}$) under 365 nm excitation. Narrows defect FWHM, elevated band-edge emission, and extends carrier lifetimes, achieving 96.4 % color purity with CIE coordinates (0.1520, 0.0395). These findings demonstrate that Zn doping is a simple, scalable, and environmentally benign strategy for engineering efficient blue-emitting CuBr QDs.
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All authors Aryamol Stephen, Ruchi Kumari, Saparja Roy, P. Jayaram, A. Biju, P. M. Sarun
Statistical Mechanics
A Statistical Analysis of Diffusion Dynamics in Networks
A. Talebi
Network
diffusion is a well-known model for studying how a quantity in a network propagates to reach a steady state, where its value becomes uniformly distributed across all nodes. Previous studies of network
diffusion have mainly focused on the second-smallest
eigenvalue of the network
Laplacian to determine the timescale associated with the slowest decaying mode. However, this study investigates the eigenspectrum of the network
Laplacian in terms of its statistical properties. This method is useful for studying the statistical properties of network
diffusion without calculating all
eigenvalues, which can be useful for large networks. Additionally, this study introduces a condition under which the system is less diffusive and investigates how changes in the network structure influence the overall
diffusion dynamics.
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Soft Condensed Matter
Entropy-Driven Initiation and Cytoskeletal Viscoelasticity in Endocytosis: An Onsager Variational Framework
Jinjie Liu, Zhongcan Ouyang and Hao Wu
Receptor-mediated endocytosis requires a particle to approach the
cell membrane to within a few nanometers before ligand–receptor binding can occur. Existing continuum models often start from an already established contact and do not explicitly describe how crowding particles on the extracellular side influence the distribution of the particle near the membrane. We examine entropic depletion forces as one possible nonspecific contribution to this initial approach. For ideal depletants, the Asakura–Oosawa excluded-volume construction gives an exact depletion potential for the planar geometry before contact. The potential and force vanish continuously at the onset of excluded-volume overlap. This interaction provides a possible contribution to membrane proximity before specific binding, while its extension to curved wrapping geometries requires additional approximation. Within a reduced continuum model, we combine depletion attraction, ligand–receptor binding, membrane deformation, and cytoskeletal viscoelastic dissipation. The viscoelastic contact is formulated through a hereditary integral and a standard linear solid. The kinetic model gives a conditional minimum ligand density for complete engulfment, a finite particle-size window, and a stiffness-dependent upper limit. When the stationary radius lies inside the domain of finite positive wrapping times, the estimated wrapping time has a minimum at a radius that decreases with increasing binding energy density. At fixed viscosity and other independent parameters, the same time approximation predicts slower wrapping as
cell stiffness increases. The two positive roots defining the size window merge at a limiting parameter value, which characterizes closure of the admissible size interval. Depletion attraction is interpreted as one possible contribution to particle-membrane association
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Materials Science
Three-Dimensional Imaging of High-Density Dislocation Networks and Their Interactions using Multislice Electron Ptychography
Eegene Chung, Anand Ithepalli, Naomi Pieczulewski et al. (+6 more)
Development of novel devices often involve combining functional materials and substrates, each chosen for particular physical properties such as low-loss or thermal conductivity. This, however, can introduce a large
lattice mismatch and high density of structural defects that may limit device performance and reliability by trapping charge or creating leakage pathways. Such is the case for integrating superconducting TiN with a low-loss sapphire substrate. Here we resolve and image the resulting misfit, screw, and threading dislocations in epitaxial TiN on sapphire using the depth-sectioning capabilities of multislice electron ptychography. We find misfit dislocations spaced ~1.6 nm apart and track out-of-plane crossings of misfit dislocations as well as their transitions to threading dislocations, details which are obscured in conventional defect-imaging methods. The ability to correlate specific dislocation types and their interactions in extremely small volumes and at high densities is valuable for understanding structure-property relations even in modern, scaled devices.
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All authors Eegene Chung, Anand Ithepalli, Naomi Pieczulewski, Chia-Hao Lee, Steven Zeltmann, Keun-Yeol Park, Celesta S. Chang, Debdeep Jena, David A. Muller
Mesoscale and Nanoscale Physics
The Role of Electron Correlations in Chirality Induced Spin Selectivity of Molecular Junctions
A. Konidena, J. Fransson and L. Kantorovich
The Non-
Equilibrium Green's Function (NEGF) approach is applied to a chain of Hubbard atoms in a helical geometry sandwiched between two leads, one of which is
magnetic, to assess what role the electronic correlation effects within the molecule may play in explaining the Chirality Induced
Spin Selectivity (CISS) effect. The correlation effects are treated at the level of the self-consistent second Born approximation. Two chiralities, Laevorotatory (L) and Dextrorotatory (D), of the helix, are discussed. Further, we account for
spin-orbit coupling (SOC) within the chains using a simplified model of Kane and Mele that exploits next-nearest neighbour interactions intrinsic to a curved geometry. The interaction with the leads is considered within the Wide Band Approximation. We consider the ratio, U/t, of the Hubbard constant U to the hopping t between atomic sites along the chain of up to two, but found very little
spin polarisation in our calculations. Even though the
spin polarisation factor defined as a relative difference between the largest and smallest total current is found for both enantiomers practically the same, the orientation of the tip's polarisation required to reach the largest and smallest currents for the two enantiomers differed. It is also found that the qualitative agreement with observations can only be achieved if we account, self-consistently, for the second order of the perturbation theory. The distribution of the
spin populations on the chain atoms for different U/t ratios is also discussed. This study concludes that even though accounting for electron-electron interactions are important in understanding
spin selectivity within molecular junctions, they cannot be made solely responsible for the high
spin polarisation factors observed in experiments.
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Mesoscale and Nanoscale Physics · Cross-listed from quant-ph
Evidence for a low-gap component in compressively stressed niobium thin films
J.T. Paustian, Maciej Olszewski, Kiichi Okubo et al. (+6 more)
We investigate the microwave response of sputtered Nb films as a function of biaxial film stress. Although transport measurements show nearly identical superconducting transition temperatures ($9.0\pm 0.2$K) and residual resistance ratios across the stress series, microwave resonators fabricated from highly compressive films exhibit enhanced temperature-dependent loss and larger frequency shifts. A conventional single-phase Mattis–Bardeen description yields an effective critical temperature of $2.4\pm0.2$K, approximately a factor of four below the value obtained from transport measurements. We show that the data are instead consistent with the presence of an additional low-gap component whose contribution increases with compressive stress. These results show that conventional transport measurements can overlook stress-dependent low-energy excitations that strongly influence microwave performance.
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All authors J.T. Paustian, Maciej Olszewski, Kiichi Okubo, Lingda Kong, B.L.T. Plourde, Ethan G. Arnault, Caleb W. Fink, Valla Fatemi, Ivan V. Pechenezhskiy
Mesoscale and Nanoscale Physics
Nonlinear Spin Polarization Enables Néel Order Switching in Centrosymmetric Altermagnets
Sunit Das, Sayan Sarkar and Amit Agarwal
Deterministic electrical switching of the Néel order remains challenging in centrosymmetric altermagnets, where linear current-induced
spin polarization is forbidden by inversion
symmetry. Here, we establish a nonlinear route to Néel order control.
Spin group
symmetry shows that, in the nonrelativistic limit, the nonlinear
spin polarization is constrained along the Néel vector, with a staggered response allowed in $8$ of the $10$ nontrivial
spin-Laue groups. Although this Néel
spin polarization is torque-inactive by itself, finite
spin-orbit coupling can generate an additional uniform component transverse to the Néel vector. Using a minimal model for the $d$-wave altermagnet FeSb$_2$, we demonstrate the coexistence of the nonrelativistic staggered response with an SOC-induced uniform transverse component. Landau-Lifshitz-Gilbert equation-based macro-
spin simulations reveal that the transverse component alone produces oscillatory dynamics, whereas its cooperative action with the staggered response enables deterministic $180^\circ$ reversal. We further show that changing the electric field orientation reverses the staggered
spin response and selects the switching direction, while the opposite Néel states can be distinguished by their anomalous Hall response. Our results establish a nonlinear electrical write-read scheme for centrosymmetric altermagnets.
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Strongly Correlated Electrons
Real-Frequency Diagrammatics with Pole Representations
Rayan Farid, Lei Zhang, Aiman Al-Eryani et al. (+2 more)
Finite-temperature many-body theories are typically formulated in imaginary time, where they are amenable to efficient numerical treatment. However, the extraction of spectral properties from the imaginary axis is difficult and requires numerical analytic continuation, while a direct formulation on the real axis requires prohibitively expensive numerical quadrature. In this paper, we represent the objects of many-body perturbation theory using systematically improvable pole and moment expansions and develop the corresponding framework for evaluating diagrammatic contributions directly on the real axis. We introduce a controlled recompression procedure that prevents the proliferation of poles under algebraic and diagrammatic operations. We
benchmark the approach on paradigmatic
quantum impurity problems and apply it to self-consistent calculations of the uniform electron gas. The resulting spectral quantities converge systematically towards numerical accuracy. This work provides a practical framework for controlled and systematically improvable calculations of spectral quantities within diagrammatic many-body theories, including self-consistent conserving approaches.
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All authors Rayan Farid, Lei Zhang, Aiman Al-Eryani, Agnieszka Jażdżewska, Emanuel Gull
Mesoscale and Nanoscale Physics
Benchmarking the generalized Kadanoff-Baym ansatz and second-order adiabatic expansion using time-dependent spintronic effects: Spin pumping, torque, and inertia
Jalil Varela-Manjarres, Nicole Sofia Salazar-Delgado and Branislav K. Nikolic
The generalized Kadanoff-Baym ansatz (GKBA) [P. Lipavský et al., Phys. Rev. B 34, 6933 (1986)] has emerged as a popular and numerically efficient
algorithm for simplification of nonequilibrium Green's function (NEGF)-based calculations of time-dependent
quantum transport. For systems that can be split into classical and
quantum degrees of freedom, another popular simplifying strategy is adiabatic expansion (AE) of NEGF [N. Bode et al., Phys. Rev. Lett. 107, 036804 (2011); S. Deghi et al., Phys. Rev. B 110, 115409 (2024)] in terms of the velocity of classical degrees of freedom, such as localized
magnetic moments (LMMs) in spintronics or coordinates of
nuclei in nanoelectronics. Here we compare GKBA and second-order AE with numerically exact
benchmarks for two-terminal junctions whose central region hosting
quantum electrons and classical LMMs is attached to two semi-infinite normal metal leads. Three simple models are employed to exhibit cornerstone time-dependent effects in spintronics—
spin pumping and
spin-transfer torque (STT), as well as
magnetic inertia as a recently explored phenomenon. We find that GKBA fails to describe pumping of
spin current by precessing LMMs, or STT vectors, and thereby induced LMM dynamics. Conversely, the second-order AE matches numerically exact
benchmarks for both effects remarkably well, thereby also revealing the essentially nonadiabatic nature of
spin pumping. Thus, AE opens a path toward an accurate description of STT-driven magnetization dynamics, including combination with first-principles
Hamiltonians, while incurring a fraction of the cost of time
evolution of full NEGF. However, despite including terms up to the second time derivatives of LMMs into AE, this approach fails to capture fast nutational oscillations on top of the precessional motion of LMMs as the hallmark of
magnetic inertia.
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Materials Science
Disentangling Surface Charge and Electrolyte Effects on Interfacial Water at Electrified Pt(111)
Thorben Eggert, Lang Li, Yair Litman et al. (+3 more)
The structure of interfacial water at electrified metal electrodes is known to affect electrocatalysis, and experiments highlight its sensitivity to electrolyte ion identity and applied bias. To disentangle generic charge-controlled structural changes from ion-specific effects, we compare ab initio molecular dynamics water structures at electrified Pt(111) generated with two very different biasing schemes: an explicit ion imbalance in the double layer and homogeneously distributed partially charged hydrogen atoms. Despite these distinct counter-charge representations, both approaches yield a consistent average response of the first water bilayer, in particular of the chemisorbed first layer, when compared on a common surface-charge scale. Method-dependent differences, in particular those associated with explicit electrolyte ions, become apparent only in more local structural descriptors. The hydrogen-bond
topology reveals charge-dependent chain-to-ring rearrangements, with explicit ions enhancing ring populations near the potential of zero charge. Layer-resolved vibrational density of states (VDOS) assigns the strongest O-H stretching perturbation to chemisorbed first-layer water and identifies high-frequency signatures of ion-coordinated water, while computed vibrational sum-frequency generation (VSFG) spectra show that the physisorbed, electrolyte-facing region is particularly sensitive to the counter-charge representation. These results suggest that surface charge controls the average structural response, whereas electrolyte ions and their solvation shells become visible only when locally refined descriptors are investigated or probed, e.g. the H-bond network
topology and vibrational fingerprints of the interfacial bilayer.
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All authors Thorben Eggert, Lang Li, Yair Litman, Karsten Reuter, Nicolas G.Hoermann, Clotilde S. Cucinotta
Soft Condensed Matter
Mesoscale heterogeneity in protein hydrogels induced by dynamic unfolding and post-gelation rearrangements
Victoria Byelova, Lorna Dougan and David Head
The rationalization of
protein hydrogel design is essential in creating bespoke and functional materials for a range of medical and healthcare applications, such as tissue engineering, wound healing and bio-sensors. The dynamic process of
protein unfolding can significantly influence the resultant gel structure and behaviour - conformational changes in individual
protein building blocks affect the bulk gel, whilst changes to bulk conditions influence how individual
proteins move and respond. In order to characterize and control
protein hydrogels, a multi-lengthscale picture must be built so that this complex interplay can be understood. We develop a coarse-grained computational model to investigate fundamental aspects of dynamic unfolding within chemically crosslinked
protein hydrogels, focussing on the mesoscale structure during and after gelation. In simplifying
protein unfolding to a single dynamic step, we are able to create a heterogeneous network formed of coarse-grained
proteins. We observe evolving hydrogels consisting of regions of high-density
protein clusters with a low degree of unfolding due to local crowding effects, interconnected by low-density stranded regions with a higher concentration of unfolded
proteins. Systematically varying the barrier height for single
protein unfolding demonstrates a weak influence on the mesoscale structure as characterised by fractal dimension and correlation length. Conversely, the measured changes in these parameters are greater after the gel experiences sustained conformational relaxation. This work demonstrates the effectiveness of coarse-grained modelling in capturing the heterogeneous mesoscale network of crosslinked unfoldable
proteins. A greater predictive understanding of the structure and behaviour of
protein hydrogels is gained through this model and will accelerate the design of novel biomaterials.
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Mesoscale and Nanoscale Physics
Direction-dependent magnetoelectric conductivity from dipolar topological semimetals
Firdous Haidar and Ipsita Mandal
We compute the linear magnetoelectric conductivity of a two-band
vortex nodal-ring (VNR) semimetal and a three-band Hopf semimetal (HSM) within the semiclassical Boltzmann formalism in the relaxation-time approximation. We consider three inequivalent planar-Hall configurations, in which the electric ($\boldsymbol E$) and
magnetic ($\boldsymbol B$) fields are oriented differently with respect to the nodal-ring plane and the BC-dipole axis. Unlike Weyl and multifold semimetals, where Berry-
curvature (BC) flux originates from monopole-like sources, both systems host dipole-like BC sources and vanishing Chern numbers. Working consistently to cubic order in the
magnetic field, we evaluate the Drude, BC, orbital-
magnetic-moment (OMM), anomalous-Hall, and Lorentz-force contributions to the conductivity. In both systems, the dipolar BC and OMM generate odd powers of $|\boldsymbol B|$ in in-plane response channels that are
symmetry-forbidden in systems with monopole-like BC sources. For the HSM, the internode-scattering contribution to the conductivity vanishes identically. By comparing the VNR with a $\mathcal{PT}$-broken gapped nodal ring and the HSM with a pseudospin-1 triple-point semimetal, we demonstrate that the dipolar nature of the BC gives rise to distinctive features in magnetoelectric response that are absent in semimetals with monopole-like BC flux.
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Mesoscale and Nanoscale Physics
Brandon Bauer, Matthew Whalen, Kenji Watanabe et al. (+4 more)
Artificial-intelligence (AI)
agents are beginning to enter experimental laboratories, automating experiments and accelerating scientific discovery. Herein, we introduce an AI-driven workflow in which an AI
agent performs multi-step, multi-day
quantum transport measurements end-to-end. Specifically, given brief instructions, the
agent starts by planning the multi-step measurements, then safely operates the cryogenic instruments, analyzes the data, and concludes with a final report. We demonstrate this AI workflow on multiple monolayer and bilayer MoS2 devices. Through autonomous measurement campaigns lasting up to six days, the
agent determined the conduction-band
spin-orbit coupling energy in monolayer MoS2, and mapped a layer- and valley-resolved phase diagram in bilayer MoS2. This experimental workflow is implemented through the FermiLink
agent harness, which emphasizes instrumental safety and the reliability of the measurement and analysis. The framework is general and can be readily adapted to other types of experiments, representing a step toward self-driving laboratories.
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All authors Brandon Bauer, Matthew Whalen, Kenji Watanabe, Takashi Taniguchi, John Q. Xiao, Tao E. Li, Wenjin Zhao
Materials Science
Agent-E2MD: Autonomous Translation of Interatomic Potential Equations into Physically Validated Pair Styles for Molecular Dynamics in LAMMPS
Bilvin Varughese, Orcun Yildiz, Aditya Koneru et al. (+3 more)
Interatomic potentials underpin MD and govern predictive atomistic-model fidelity for metals,
semiconductors, oxides,
liquids, and reactive systems. A potential has limited practical value until reliably implemented in production MD code. Slow, expertise-intensive implementation requires more than equation-to-C++ translation: it must select the neighbor-list architecture, evaluate and distribute many-body derivatives, manage interprocessor communication, and preserve host-code energy, force, and virial conventions. We introduce
Agent-E2MD, a knowledge-guided agentic workflow that translates user-specified interatomic models into executable LAMMPS pair styles. It combines architectural classification, code generation, autonomous build-test-fix cycles, simulation execution, and hierarchical physical validation. We test
Agent-E2MD on seven material-potential pairs: Lennard–Jones Ar, EAM/FS Ag, MEAM Bi, Tersoff Si, GAP Ni, ReaxFF C/H/N/O, and a recently developed Symbolic Regression EAM (Symb EAM) model for Al, currently unavailable in LAMMPS. Single-point results match reference energies and forces for all seven models. Five crystalline many-body
benchmarks recover reference relaxed
lattice properties, vacancy formation energies, and elastic constants. Ag, Bi, Si, and Ni are stable at finite temperature in nanosecond-scale simulations; ReaxFF extends validation to reactive dynamics with evolving bond order and charge equilibration. Results demonstrate that the software architecture for an interatomic potential can be inferred from its physical and mathematical structure.
Agent-E2MD does not replace scientific judgment; it shifts users' effort from routine implementation to model definition, rigorous validation, and physical interpretation. The framework provides a practical, traceable bridge between emerging AI-driven potential discovery methods and production-scale atomistic simulations.
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All authors Bilvin Varughese, Orcun Yildiz, Aditya Koneru, Henry Chan, Tom Peterka, Subramanian Sankaranarayanan
Statistical Mechanics · Cross-listed from hep-th
Density-driven reversal of flavour-entanglement anisotropy in the D3-D7 holographic conductor
Fuminori Okabayashi
We study the leading probe-flavour contribution to equal-time spatial
entanglement entropy in a homogeneous 3+1-dimensional strongly coupled conductor at finite temperature and charge density, realised holographically by the D3-D7 system and driven by a constant DC electric field. We compare slab-shaped subregions that are extended in two spatial directions and have finite width parallel or transverse to the field. The difference between the corresponding
entropy corrections isolates a homogeneous, spatially traceless response and exhibits a density-driven sign reversal. Over the investigated parameter range, the crossover density increases with the electric-field magnitude and decreases with the strip width. Mutual information shows the same qualitative reversal and provides an ultraviolet-finite check. We trace the effect to a radial sign competition in the full Dirac-Born-Infeld stress anisotropy. The reversal is a smooth response crossover rather than a thermodynamic phase transition.
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Strongly Correlated Electrons
Tilt-controlled Drude anisotropy in nodal-line semimetals: logarithmic enhancement, interband correction, gauge consistency, and the Landau-damping window
Wei Li and Jing-Rong Wang
We study the anisotropic charge response of a three-dimensional tilted nodal-line semimetal in which the tilt enters the spectrum through an identity term and acts as the model control parameter. Using the Kubo formula with line-integral vertices, we show that the tilt-induced deformation of the low-energy phase space produces parametrically different longitudinal and transverse Drude responses: the longitudinal weight grows logarithmically as $D_{zz}=B\ln(1/\delta)$ with the analytically determined coefficient $B=g/(2\pi)^2$—within the window in which the Fermi-surface tail lies inside the ultraviolet cutoff, while at a fixed physical cutoff the weight saturates instead at a cutoff-set plateau—whereas the transverse weight follows a stronger algebraic scaling $D_\perp\sim\delta^{-1}$; the leading $\sqrt\delta$ corrections to both asymptotic forms are obtained analytically. The interband polarization retains the $q^2$ long-wavelength structure, with a coefficient that is infrared-integrable through Pauli blocking at finite doping yet carries a slow ultraviolet logarithm; it renormalizes the collective mode multiplicatively and sets the interband absorption threshold $\omega_c=2\mu/(1+|\eta_z|)$. A self-consistent solution of the plasmon dispersion identifies a tilt-dependent damping-free window bounded by the interband continuum. We predict that the type-II extension of this window, within the stated bandwidth (Brillouin-zone-like) cutoff regularization, contains a candidate low-frequency acoustic-like branch outside the particle–hole continua for $\eta_z\gtrsim1.2$ over a finite window in momentum transfer.
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Strongly Correlated Electrons
Berry-Landau Fermi-liquid theory: transport in presence of quantum geometry
Shuai A. Chen and Roderich Moessner
Landau Fermi-
liquid theory characterizes interacting metals through quasiparticles and their residual interactions. It is a challenge to incorporate non-trivial
quantum geometry – as encoded by Berry phases and the
quantum metric – as a fundamental ingredient. We formulate a Berry-Landau Fermi-
liquid theory for spinless
fermions within an isolated band crossing the Fermi surface and derive the Landau functional through the Nozières–Luttinger construction. The instantaneous response to a perturbation of the Bloch waves generates both an anomalous Berry-connection potential in the action and an interaction-induced
quantum-
geometric contribution to the quasiparticle current. The conserved physical charge current is then obtained via the electromagnetic Ward identity as a combinati of this
quantum-
geometric current and the bare drift current. Therefore, the intrinsic anomalous Hall conductivity is fixed by the Berry-
curvature integral of the dressed quasiparticle band while the Drude weight contains both conventional and
quantum-
geometric contributions. In the presence of Galilean
symmetry, the Drude weight is protected against interaction renormalization. In the flat/narrow-band limit, transport is dominantly
quantum-
geometric and can be thermally enhanced. These results establish quasiparticle occupations, Landau interactions, and the
quantum geometry carried by quasiparticles as the fundamental low-energy ingredients of a Berry-Landau Fermi
liquid.
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Superconductivity
The observation of bulk superconductivity in Rhombohedral ReO3 under pressure
S. Huyan, R. F. S. Penacchio, L-L. Wang et al. (+10 more)
Understanding how
lattice geometry enables superconductivity in oxides remains a central challenge. Here, we report a systematic study of ReO3 up to 80 GPa. Synchrotron X-ray diffraction, Raman spectroscopy, electrical transport, dc
magnetic susceptibility, and first-principles calculations establish a sequence of pressure-induced structural transitions, from cubic Pm-3m to Im-3 followed by the emergence of a rhombohedral R-3c phase accompanied by bulk superconductivity with a maximum Tc, onset ~17.5 K. DC
magnetic susceptibility and trapped-flux magnetization measurements demonstrate that bulk superconductivity is confined to the pressure range where R-3c phase is dominant. Density functional theory calculations show strong electron-
phonon coupling in the hR24-R-3c structure, with substantial contributions from both low-frequency Re vibrations and high-frequency oxygen-related
phonon modes, yielding a calculated Tc comparable with the experiment. Upon further compression above ~35-40 GPa, powder X-ray diffraction results indicate a
symmetry-lowering structural transition. Whereas the experimental diffraction patterns can be best described by a rhombohedral-derived R32-like average distortion with effective enlargement of the crystallographic unit
cell, enthalpy calculations identify a lower-
symmetry mP16-P2/c structure driven by
phonon instability of the R-3c phase. This reconstructed higher-coordination phase has a reduced density of states at the Fermi level, weaker electron-
phonon coupling, and a much lower calculated Tc, providing a microscopic explanation for the loss of bulk superconductivity in the higher-pressure phase. These results show that bulk superconductivity is stabilized within the rhombohedral structure, where pressure-induced
lattice reconstruction supports enhanced electron-
phonon coupling through cooperative Re-O
lattice dynamics.
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All authors S. Huyan, R. F. S. Penacchio, L-L. Wang, J. Schmidt, D. Zhang, B. Lavina, Z. Li, R. A. Ribeiro, T. J. Slade, J. Zhao, S. L. Morelhão, P. C. Canfield, S. L. Bud'ko
Soft Condensed Matter
Dense Packing of Tetrahedra in Cylinders
Gabrielle N. Jones, Adil Mughal, Philipp W.A. Schönhöfer et al. (+1 more)
We present the first systematic investigation of regular tetrahedra densely packed within a circular cylinder. Combining numerical simulations with exact analytical theory, we classify the densest configurations into two continuous, mathematically tractable families: chiral Tetra Helices and achiral Dimer Chains. Crucially, we reveal that the celebrated Boerdijk-Coxeter Helix is not an isolated anomaly, but a natural consequence of this cylindrical confinement. We further identify a striking
symmetry-breaking bifurcation at a critical diameter, where the chiral helix coexists with an achiral dimer chain at a strictly identical packing fraction.
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All authors Gabrielle N. Jones, Adil Mughal, Philipp W.A. Schönhöfer, Sharon C. Glotzer
Soft Condensed Matter
Adsorption of the low density lipoproteins on the micropatterned polymer brush: computer simulations
J. Ilnytskyi, D. Yaremchuk and O. Komarytsia
Photorenewable
polymer adsorbents, aimed at reducing the low density lipoproteins (LDLs) level, are reported experimentally. Previously we developed a mesoscale model for this setup with uniformly grafted chains, and examined the role played by chains length and grafting density [Ilnytskyi, et al., Processes, 2023, 11, 2913]. The analysis is extended here to the cases of bunch-like and grid-like grafting micropatterns. The bunch-like arrangement is the most efficient one displaying low- and high-density peaks for adsorbing effectiveness. The former peak is twice higher compared with uniform grafting, as a consequence of a match between LDLs dimensions and the micropattern pitch. Adsorption isotherms are fitted well by either Langmuir or logistic growth forms, indicating a higher growth rate compared with uniform grafting. The high-density peak exists only for this micropattern and extends the applicability of an adsorbent. At the highest LDL concentration, adsorption is hampered by self-assembly of LDLs into a packed cubic phase.
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Statistical Mechanics
Unraveling the Emergence of Slow Dynamics in U(1) Lattice Gauge Theories
Riccardo Andreoni, Zala Lenarčič, Zeno Bacciconi et al. (+3 more)
The dynamics of gauge theories is of fundamental interest, with low-dimensional systems displaying a rich phenomenology beyond the rapid thermalization typical of QCD and non-Abelian theories. In particular, recent
quantum simulation experiments have reported robust and unexpected signatures of slow relaxation in generic regimes and at large volumes in one-dimensional U(1)
lattice gauge theories (LGTs), whose origin remains poorly understood. Here, we present a framework that provides a unified perspective on such slow dynamics and establishes a new route for exploring subdiffusive fractonic hydrodynamics in Rydberg experiments. The backbone of our theory is an exact analytical mapping from U(1) LGTs with a topological $\theta$ angle to non-local kinetically constrained fermionic models with an emergent linear Stark potential. In the absence of the $\theta$ term, this framework interprets the non-thermal dynamics reported in recent experiments as prethermal behavior arising from proximity to an integrable free-
fermion model. For non-zero $\theta$, the emergent Stark potential instead explains the freezing dynamics observed in other recent experiments. We argue that this correspondence could also lead to subdiffusive transport due to emergent conservation laws. We predict that these phenomena arise in a much broader class of models, and support this prediction with numerical simulations and proposals for future experiments.
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All authors Riccardo Andreoni, Zala Lenarčič, Zeno Bacciconi, Antonello Scardicchio, Marcello Dalmonte, Devendra Singh Bhakuni
Strongly Correlated Electrons
Crystal Electric Field Analysis on the Magnetic Properties of Ferromagnetic CeRu$_2$Ge$_2$ Single Crystal
Shovan Dan, Suman Nandi, Gourav Dwari et al. (+5 more)
We report a detailed anisotropic studies on the
magnetic and transport properties of a CeRu$_2$Ge$_2$ single
crystal. A clear ferromagnetic transition is observed at $T_{\rm C} = 7.5$~K in the
magnetic susceptibility, electrical resistivity and heat capacity measurements. The magnetoresistance (MR) is positive at low temperature within the magnetically ordered state. We confirmed the presence of a
magnon excitation gap in the resistivity, MR and the low temperature heat capacity data. The pronounced anisotropy observed in the
magnetic susceptibility and magnetization along the [100] and [001] directions is quantitatively explained within the
crystal electric field (CEF) framework using the point-charge model. The analysis reveals a CEF level scheme comprising three doublets, with a ground state and two excited states at 491 and 671~K, that was further confirmed from the Schottky effect in the
magnetic part of the heat capacity data. Unlike most Kondo
lattice ferromagnets of Ce compounds, where the
magnetic easy axis deviates from the expected CEF ground state, CeRu$_2$Ge$_2$ exhibits magnetization, which is fully consistent with the CEF derived ground state wave function, with the easy axis of magnetization aligned along the [001] direction.
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All authors Shovan Dan, Suman Nandi, Gourav Dwari, Bishal Baran Maity, Bhagyashree A Chalke, Ruta Kulkarni, P. D. Babu, Arumugam Thamizhavel
Disordered Systems and Neural Networks
Topological phase transition driven by structural defects
Andrii Syrota, Andrej Mesaros and Pascal Simon
Structural defects, such as disclinations and dislocations, destroy the long-range crystalline order as they proliferate. In this work, we continuously drive a system from a crystalline state on a decorated honeycomb
lattice to a hyperuniform amorphous state, by consecutively introducing Stone-Wales (SW) defects, which can be viewed as dipoles of dislocations. Using a topological Weaire-Thorpe
Hamiltonian model to describe electrons in this system, we demonstrate that SW defects can cause pseudo-band inversions and, correspondingly, a reversal of the Chern number. Using adiabatic arguments and a computationally efficient spillage indicator, we predict the topological phase diagram of the amorphous state from the crystalline one. We explain the nature of the pseudo-band inversion through the renormalization of the hopping in an effective
Hamiltonian based on a single SW defect.
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