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Physics Condensed Matter

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Monday 7 September

Strongly Correlated Electrons

Hysteretic Coherence Collapse Across the First Order CDW Transition in 1T-TaS2

The first order phase transition between the nearly commensurate (NC-CDW) and commensurate (C-CDW) charge density wave phases in 1T-TaS2 underpins its exotic electronic behavior, yet the spectroscopic evolution of the low energy electronic structure across this transition remains crucial to understand. Using angle resolved photoemission spectroscopy (ARPES), we investigate the low temperature C-CDW phase, characterized by a flat band commonly associated with the lower Hubbard band and a distinct in-gap state located closer to the Fermi level. Photon energy dependent measurements distinguish these two low energy features through their different spectral weight evolution. Temperature dependent ARPES across heating and cooling cycles reveals that the in-gap state undergoes an abrupt collapse upon heating into the NC-CDW phase and re-emerges sharply upon cooling back into the C-CDW phase. This pronounced thermal hysteresis provides direct spectroscopic evidence of the first order nature of the transition. Furthermore, the disappearance and recovery of the in-gap state closely track the corresponding changes in resistivity, highlighting its intimate connection to the electronic reconstruction across the C-CDW/NC-CDW phase transition.
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All authors Turgut Yilmaz, Anil Rajapitamahuni, Asish K. Kundu, Menka Jain, Elio Vescovo

Other Condensed Matter · Cross-listed from hep-ex

Solid-state nuclear magnetic resonance search for axion-like dark matter with broadband SQUID magnetometry

We report the results of an experimental search for ultralight axion-like dark matter in the mass ranges 19.5–20.5 and 21.5–22 neV. The Cosmic Axion Spin Precession Experiment-electric probes the axion-nuclear electric dipole moment coupling. We perform solid-state nuclear magnetic resonance on $^{207}$Pb spin ensembles which reside in a polarized ferroelectric crystal. The background axion-like dark matter field induces an oscillating torque on the $^{207}$Pb spins via the electric dipole moment coupling $g_{d}$. The experiment is calibrated with pulsed magnetic resonance measurements covering two frequency bands (4.6–5.0 and 5.2–5.3 MHz) that correspond to the axion Compton frequencies associated with the identified axion mass ranges. By sweeping the leading magnetic field applied to the sample, we are able to detect the $^{207}$Pb nuclear magnetic resonance in these frequency ranges using a superconducting quantum interference device, inductively coupled to the sample with a broadband circuit. We establish the upper bounds $|g_{d}| < 4\times 10^{-4}$ GeV$^{-2}$ with 95% confidence in these frequency bands. Our results demonstrate the detection and small-tip angle calibration of low-field $^{207}$Pb nuclear magnetic resonance, allowing for sensitivity to axion-like dark matter in the nanoelectron-volt axion mass range.
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All authors Andrew J. Winter, János Ádám, Deniz Aybas, Dmitry Budker, Derek F. Jackson Kimball, Surjeet Rajendran, Arne Wickenbrock, Alexander O. Sushkov

Statistical Mechanics

Tensor network investigation of the monomer-dimer model on the honeycomb lattice

The monomer-dimer model is one of the most well-known unsolved lattice models. In this paper we study the monomer-dimer model on the honeycomb lattice using the tensor network method, in the case that the dimer and monomer activities are 1. The monomer-dimer configurations are exactly mapped into the ground states of the antiferromagnetic Ising model on the Kagomé lattice in the critical field $H_{\rm{ex}}=4J$, and the tensor network is constructed based on the local ground states of each Ising triangle. The VUMPS approach is employed to contract the tensor network, providing a high-precision result of the monomer-dimer problem. We also revisit the edge coloring problem on the honeycomb lattice and discuss its relationship to the monomer-dimer model. Finally we formulate the monomer-dimer problem in the language of the sixteen-vertex model, and discuss the non-integrability of the general monomer-dimer model and the integrability of the pure dimer model.
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Soft Condensed Matter

Valency-bounding correction potential for coarse-grained molecular dynamics simulations

Many systems in soft and living matter bind through a limited number of bonds per particle: proteins associate via discrete surface patches, nucleic acids form one-to-one contacts, and the phase behaviour of multivalent biomolecules is governed by the number of binding sites they carry. In simulations, valency limits are typically enforced with patchy particles, whose anisotropic potentials require integration of rotational degrees of freedom and combine hard cores with narrow patches, which forces small timesteps and commits the model to a fixed binding-site geometry that is often unknown, flexible or mobile. We introduce the valency-bounding correction (VBC), a many-body modification of generic short-range pairwise potentials that smoothly suppresses attraction once the neighbour count of either interacting particle exceeds a prescribed valency. The correction carries no angular degrees of freedom, applies on top of soft repulsive cores and evaluates in two passes over the neighbour list at the cost of a standard pairwise potential. The VBC drives the coordination number to the prescribed valency with low error, while its cluster statistics depart from Wertheim and Flory-Stockmayer predictions through unrestricted ring formation. A tuned variant exchanges bonded partners through ordinary molecular dynamics, reducing bond lifetimes at high saturation by an order of magnitude. On GPUs the cost of the correction is nearly independent of valency, reaching an almost tenfold advantage over a patchy-particle reference. We illustrate large-scale applications by reproducing the reentrant aggregation of repeat-expanded RNA, and show that the VBC also remedies the Fisher-Ruelle thermodynamic instability of soft-core potentials with attraction. The VBC is available as an open-source GPU plugin for HOOMD-blue.
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Statistical Mechanics · Cross-listed from hep-th

Truncated Polyakov bootstrap for BCFTs: Neumann-Dirichlet flow and Ising special transition

We extend the recently proposed truncated Polyakov bootstrap to boundary conformal field theories (BCFTs). The formalism uses the analytic functional framework to find approximate solutions of BCFT crossing. We show that a generic nonperturbative solution can be identified by relating it to a family of deformations around generalized free fields (GFF) with a fixed boundary condition. We show this by tracking the flow of BCFT data from GFF with Neumann boundary condition to that with Dirichlet. The same method is then used for the 3d Ising special transition, using the perturbative Wilson-Fisher description as the deformation to identify it. The BCFT data obtained are in remarkable agreement with existing lattice results where available, and are otherwise new.
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Strongly Correlated Electrons · Cross-listed from hep-ph

Quantum-Geometric Meissner Effect in Magnetized Color Superconductors

We find a quantum-geometric Meissner response in magnetized two-flavor color-superconducting (2SC) quark matter. Landau quantization quenches the transverse quasiparticle dispersion, suppressing the conventional Fermi-surface contribution and giving rise to a Meissner response governed by the quantum geometry of the Landau levels. In the strong-field regime, the response becomes dominated by the quantum metric of the lowest Landau level (LLL), and the leading scaling of the transverse Meissner mass is consequently set by the pairing gap, in contrast to the chemical potential scaling of conventional color superconductors. This unconventional scaling has a topological origin, as the LLL quantum metric is constrained by its Chern number. The reduced transverse Meissner mass provides potential implications for kHz quasi-periodic oscillations in magnetars.
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Disordered Systems and Neural Networks · Cross-listed from quant-ph

Restricted typicality in non-equilibrium quantum many-body systems

Characterizing the time evolution of generic quantum many-body systems is a fundamental challenge, as representing the exact state requires exponentially scaling computational resources. While hydrodynamics and statistical mechanics successfully simplify this task by predicting the expectation values of local observables, these macroscopic frameworks provide no information about nonlinear characteristics of the quantum state. In this work, we demonstrate that for systems exhibiting a timescale separation, with dynamics governed by the transport of conserved charges, this lost information can be systematically recovered. By constraining the maximum-entropy Scrooge ensemble solely by the system's slow modes, we accurately reconstruct complex, nonlinear quantum properties of the global time-evolved state, including the half-chain entanglement entropy and the participation entropy in the computational basis. Our results generalize the paradigm of canonical typicality, revealing that a hydrodynamically bottlenecked system behaves as a typical pure state within a dynamically restricted submanifold of the Hilbert space - a phenomenon we term global restricted typicality.
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Strongly Correlated Electrons

Exact fermionic dual of the Bose-Hubbard model

Recent developments have established exact bosonization and fermionization with a $\mathbb{Z}_2$ symmetry as dualities through gauging. In this work, we apply fermionic gauging, which realizes generalized Jordan-Wigner transformations, to the Bose-Hubbard (BH) model with a global $U(1)$ symmetry and derive an exact dual description in terms of fermionic composites, built from bosons and fermions. In 1D, this duality generalizes the exact mapping between the extended hard-core BH model and the spinless Fermi-Hubbard model to include soft-core bosons. At low energies, the mapping reduces to the well-known equivalence between the sine-Gordon model and the Thirring model. The oscillation wave vector of the fermionic composite correlation function in the gapless phase is fixed by their density, providing a novel manifestation of Luttinger's theorem. We verify the exact duality using density matrix renormalization group (DMRG) calculations and demonstrate that the gapless phase and the phase transition are governed by the compact boson conformal field theory. Our construction naturally extends to generic bosonic systems and higher dimensions, opening new avenues for studying Bose-Fermi mixtures in optical lattices and other strongly correlated quantum systems.
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Mesoscale and Nanoscale Physics

Creation and characterization of leviton excitations in tight-binding chains

Levitons are minimal-excitation electronic wave packets generated by Lorentzian voltage pulses and constitute a central resource for electron quantum optics. Their creation and defining properties are usually formulated in continuum scattering descriptions, whereas many candidate platforms for integrated electronic quantum circuits are finite, discrete, and strongly shaped by lattice dispersion. We study leviton generation in finite one-dimensional tight-binding chains of non-interacting fermions driven by time-dependent voltage pulses. Using the single-particle density matrix, we resolve the excitation above the initial Fermi sea and quantify its quality through the average excitation number and its fluctuations. We find that clean leviton-like states emerge only in an intermediate regime where the pulse is slow enough to be resolved by the dynamics on the lattice, but not so slow that truncation and finite-size effects distort the Lorentzian profile in the time domain. Lorentzian pulses (even if truncated) systematically outperform non-Lorentzian pulse shapes in approaching the low-noise limit with increasing system size. We further identify finite-lattice signatures associated with band filling, pulse amplitude, linear voltage-drop geometry, and residual deviations from the continuum integer-charge condition. These results establish a microscopic framework for understanding leviton formation beyond the ideal continuum limit and for evaluating lattice-based platforms for coherent few-electron transport.
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Materials Science

Temperature-Dependent nonlinear optics from first-principles: Second-Harmonic Generation in few-layers MoS$_2$

We present a first-principles real-time approach to study non-linear response of solids at finite temperature. Finite temperature effects are included as renormalization of the quasiparticle energies and a dephasing term proportional to the quasiparticle lifetimes. We evaluate electron-phonon matrix elements from Density-Functional Perturbation Theory for lattice dynamics and then calculate quasiparticles renormalization and lifetime from the Fan and Debye-Waller terms of the electron self-energy. Electron excitations are treated at the independent particle level of approximation. We apply the approach to the second-harmonic generation (SHG) in monolayer and trilayer MoS$_2$. We observe a nontrivial temperature-dependence of the SHG due to a strong crystal-momentum dependent quasiparticle renormalization. From the phonon-mode analysis we find that the coupling with acoustic and shear modes determines the overall crystal-momentum dependence respectively in monolayer and trilayer MoS$_2$. The nontrivial temperature-dependence of the SHG can help rationalize the increase of SHG intensity with increasing temperature observed in monolayer MoS$_2$ at a given laser energy [Adv. Optical Mater. 8, 2000441 (2020)].
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Mesoscale and Nanoscale Physics

Simple invariants for band topology

Despite the exhaustive understanding gathered around non-interacting topological states of matter, there is no single method capable of systematically delivering simple, numerically efficient topological invariants that is applicable to all crystalline and non-crystalline systems alike. Here we revisit the spectral localizer operator, constructed from the Hamiltonian and position operators, and show how it can be treated it as an auxiliary zero-dimensional Hamiltonian whose topology encodes the higher dimensional phases of the parent Hamiltonian. Its classification reduces every topological invariant to a matrix signature or the sign of a Pfaffian for an appropriate localizer, both of which are simple to interpret and efficient to compute in real space. We validate this approach by deriving simple real-space invariants for weak and rotationally invariant crystalline phases that were previously beyond the grasp of the spectral localizer formalism, atomic limits that escape scattering invariants, phases that evade symmetry-based indicator methods, as well as phases that had no previously known invariant. Our work provides a systematic way to construct any non-interacting topological invariant for a crystalline or non-crystalline systems, opening avenues to classify and predict the topology of previously unexplored classes of materials.
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Materials Science

High-Field Electron Transport in AlGaN alloys: A Full-Band Monte Carlo Study Based on Ab Initio Supercell Calculations

AlGaN alloys are promising wide and ultra-wide-bandgap semiconductors for next-generation power and RF electronics applications. To realize the full potential of AlGaN based devices, it is important to understand the electron transport to accurately predict device performance and identify material limits under various operating conditions. In this work, the high-field electron transport properties of AlxGa1-xN are investigated using a supercell based full band Monte Carlo method. The supercell approach is employed to explicitly capture the true disorder of the alloy system, enabling a more realistic description of carrier transport. The velocity field characteristics are calculated across a range of Al compositions to evaluate key transport metrics, including peak velocity, saturation velocity, and critical electric field. The role of different scattering mechanisms is studied in detail to understand the high field transport mechanism in the AlGaN alloy system. In addition to steady state transport, transient electron dynamics are examined for various Al fractions to study velocity-overshoot behavior, which is especially important for improving the performance of scaled RF devices. Finally, the temperature dependence of the velocity field characteristics in ultra-wide-bandgap Al0.75Ga0.25N is investigated to assess its transport performance under high temperature conditions. These results provide a detailed understanding of high-field transport in AlGaN alloys and offer guidance for the design of AlGaN-based RF and power electronic devices.
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Disordered Systems and Neural Networks · Cross-listed from math.PR

Efficient computation of the asymptotics of extensive-rank HCIZ integrals

We study the high-dimensional asymptotics of Harish-Chandra-Itzykson-Zuber (HCIZ) integrals in the extensive-rank regime. The limit of these integrals is governed by a one-dimensional boundary-value hydrodynamical problem originally derived by Matytsin (1994) and rigorously proved by Guionnet and Zeitouni (2002). Despite its wide-ranging applications, explicit solutions to this problem are known only in a few specific cases. In this work, we introduce an efficient numerical scheme based on a particle discretization and prove its convergence to the continuous boundary-value problem for generic boundary densities. We validate our approach against known analytical solutions and apply it to generic densities, uncovering interesting dynamical phenomena. The high-dimensional limit of HCIZ integrals appears in various contexts, from the large deviations of random matrix spectra to the limiting free energy of disordered systems, high-dimensional statistics, and machine learning. As such, our contribution opens the way towards the numerical exploration of a wide range of high-dimensional models that were previously intractable.
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Statistical Mechanics

Directional memory of early spectral selection during spinodal decomposition in finite systems

Cahn-Hilliard phase separation turns small composition fluctuations into coarsening domains. In Fourier space, the pattern forms a ring whose angular intensity favors an axis. We ask whether the axis favored early in an evolution remains related to the axis favored later in the same evolution. We analyze two-dimensional simulations with isotropic initial fluctuations and no imposed direction. We introduce $Q_2$, a normalized angular average over the Fourier spectrum, as a measure of the strength and direction of spectral anisotropy. Linear growth amplifies different wave numbers at different rates, selecting an early axis from the angular imbalances in the initial spectrum. This axis remains correlated with the late axis during coarsening. At a fixed time, shallow quenches show stronger early-late alignment. This advantage disappears when the quenches are compared at similar stages of domain growth. Adding the early $Q_2$ to a prediction based on quench depth, mean composition, and box size reduces the mean absolute error for late $Q_2$ by $3.53\%$. This reduction disappears when only the magnitude of the early $Q_2$ is retained, or when its direction is replaced by the direction from another evolution. The early Fourier intensity therefore carries information about the later state of the same evolving field.
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Statistical Mechanics

Topographic Disorder, Wind Coupling, and Directional Fire Spread: Critical Behavior in a Terrain-Weighted Forest Fire Model

We introduce the Terrain-Weighted Forest Fire Model (TFFM), a lattice model in which fire spreads on a spatially correlated Gaussian height field with the asymmetric bond probability $p_{i\to j}=\mathrm{clip}[e^{-\beta+\gamma(h_j-h_i)},0,1]$, plus an additive wind bias. Simulations on lattices up to $L=8192$ reveal a sharp active-to-inactive transition whose critical suppression threshold $\beta_c$ is even in $\gamma$, decreases with $|\gamma|$, and decreases as the terrain correlation length $\sigma_h$ is reduced: slope asymmetry acts as a suppressant because downhill bonds are penalized and fire stalls at local elevation maxima. For rough terrain and low tree density the fire fails to percolate even at zero suppression. Finite-size scaling on a fine $\beta$ grid at $L=2048$–$8192$ gives a correlation-length exponent $\nu=1.8\pm0.17$ from both the susceptibility peak and the width of the transition, and a front-velocity exponent $\delta=0.34\pm0.03$, identical for smooth and rough terrain; neither matches directed percolation ($\nu_\perp=0.73$, $\nu_\parallel-\nu_\perp\approx0.56$) or isotropic percolation ($\nu=4/3$, $\approx0.18$). The single-seed survival probability at $\beta_c$ is independent of $L$ and decays extremely slowly, with a running exponent falling from $\approx0.09$ to $\approx0.04$, excluding directed percolation and pointing to a survival probability that remains finite at criticality, consistent with the $L$-independent value $P^*\approx0.5$ at which $P_{\rm surv}$ drops to zero. Wind raises $\beta_c$ by a factor of $2$–$4$, produces a sharp onset of downwind fire-scar drift at weak coupling, and, at high terrain coupling, decreases the burned fraction at boundary crossing—a terrain-wind competition effect absent from isotropic bond-disorder models. The model yields fire-risk thresholds and fire-scar signatures comparable to satellite burn-scar data.
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All authors Juan M. Florez, Eric Suárez Morell, Cristian Millan, J. Restrepo

Disordered Systems and Neural Networks

A Bifurcation Theory for the Equilibria of Modern Hopfield Networks

Modern Hopfield networks provide a unifying framework for associative memory, transformer attention, diffusion-based generative models, and biological attractor dynamics, linking these systems through a common energy-based dynamics in which states are updated toward weighted combinations of stored patterns. Across these settings, network dynamics is determined by the organization of the energy landscape and the bifurcations of its fixed points. Despite their central role, a general theory of these bifurcations has remained unavailable beyond specific architectures and idealized pattern ensembles. Here we derive stability and bifurcation criteria for the fixed points of general convex-dual Modern Hopfield networks for a general statistics of the stored patterns. Applying this framework to random, block-correlated, and infinitely hierarchical pattern ensembles, we show how memory correlations systematically organize the emergence of hierarchical attractors through successive bifurcations. We further demonstrate that these predictions quantitatively describe retrieval bifurcations in MHNs storing patterns sampled from MNIST, and recapitulate the hierarchical organization of hematopoietic cell identities. Our results establish a general bifurcation theory for Modern Hopfield networks and identify the organization of fixed points as a unifying principle underlying their computational and biological behavior.
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Quantum Gases

Where Is the \(p\)-Wave Superfluid? Correlated Phase Diagram of Microwave-Shielded Polar Molecules

Chiral $p_x\!\pm\! i p_y$ superfluidity in fermionic polar molecules offers a direct route to topological quantum matter with non-Abelian excitations, yet the parameter regime in which pairing survives strong correlations and competing instabilities has remained unresolved. Here we determine this regime for microwave-shielded polar molecules. Under tight confinement along the \(z\) direction, the microscopic molecular interaction collapses onto a universal quasi-two-dimensional form specified by an interaction length $\sigma$, defined as the position of its attractive minimum, and a single dimensionless coupling. We combine Fermi-hypernetted-chain Euler–Lagrange theory with correlated-basis pairing theory, thereby treating the correlation hole, density response, stability of the homogeneous fluid, and $p$-wave pairing within one framework. The largest pairing gap occurs immediately on the stable side of a long-wavelength spinodal instability at a two-dimensional density $4\times10^{-2}/\sigma^2$. Mapping this universal regime onto microscopic shielding schemes exposes an intrinsic limitation of single-microwave dressing: weakening the attraction to the optimal pairing range simultaneously weakens collisional shielding. Dual-microwave dressing removes this constraint by compensating the long-range attraction while retaining a large repulsive core. Imposing explicit requirements on collisional loss, confinement, and microwave-amplitude stability, we identify the regime of molecular mass and dipole moment favorable for \(p\)-wave superfluidity and determine experimentally realistic microwave and confinement conditions for its realization. These results turn the search for molecular $p$-wave superfluidity into a quantitative optimization problem and define a route toward the topological weak-pairing phase.
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Materials Science

Exciton Coherence in CsPbBr3 Nanocrystals is Bounded by Phonon-Mediated Bright-Triplet Relaxation

Scalable sources of indistinguishable single photons or entangled photon pairs are fundamental to many quantum photonic technologies. Colloidal lead halide perovskite nanocrystals are promising such sources, but their exciton coherent properties are not fully understood. We show that in single CsPbBr3 nanocrystals at 4 K, acoustic phonon-mediated exciton fine structure relaxation (EFSR) drives leakage of population between the bright exciton triplet states, competing with the radiative lifetime. The leakage pathway reaches 0.64 $\pm$ 0.04 of the radiative rate, bounding state coherence to 0.81 times the transform limit at 4 K. This pathway is intrinsic to the nanocrystal, not its environment, making it a tractable target for materials and device design. We identify fine structure and acoustic phonon engineering as effective intrinsic routes to higher coherence in perovskite quantum light sources.
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All authors Tara Šverko, Annette J. Jones, Chantalle J. Krajewska, Peter C. Sercel, Alexander L. Efros, Alexander E. Kaplan, Niamh L. Brown, Stefano Toso, Moungi G. Bawendi

Mesoscale and Nanoscale Physics

Metal-Insulator Coexistence and Gap-Crossing Domain-Wall Modes in an Aubry-André Model with Nonlocal Hopping

Nonequilibrium transport remains a central theme in modern physics, spanning from condensed matter to synthetic systems. Here, we investigate particle transport in an extended Aubry-André model with system-scale hopping, namely nonlocal hopping with a range proportional to the system size, and uncover a metal-insulator coexistence regime in real space, where metallic and insulating spatial domains coexist within the same system and are separated by sharp spatial boundaries. In the insulating region, particles exhibit flat-band-like localization in the absence of quasiperiodic potentials, while a quasiperiodic potential induces distinct multi-point localization, different from conventional exponential localization. Meanwhile, particles can freely propagate and tunnel across spatially disconnected metallic domains separated by the insulating region. Beyond this coexistence phase, we identify unconventional gap-crossing domain-wall modes with comb-like spatial profiles that mediate nonlocal, multi-point transport across separated metallic domains. Our findings reveal a rich interplay between localization, nonlocality, and transport in systems with nonlocal hopping.
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All authors Xiarui Zhan, Mingsheng Tian, Qiongyi He, Kaiye Shi, Wei Zhang

Statistical Mechanics · Cross-listed from stat.CO

Thermodynamic Cyclic Processes with Markov Samplers in Bayesian Inference

The concept of Markov chain Monte Carlo (MCMC) cycles, an analogy to cyclic processes in heat engines, is presented in order to examine Bayesian inference problems. In this effort, we develop adaptive ensemble schedulers that allow the tuning of external parameters of a Bayesian canonical ensemble during an MCMC run, realising the MCMC cycles in practice. We run these cycles on different statistical models. As a fundamental insight, we find (both theoretically and in practice) that such systems can produce a non-zero net work output if and only if the considered model is non-Gaussian. As such, they may serve as a measure of non-Gaussianity in Bayesian inference, which we test on an example from supernova cosmology.
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Materials Science · Cross-listed from cs.LG

Online Surrogate Repair: Decoupling High-Fidelity Feedback from Search Length in Closed-Loop Discovery

Closed-loop AI scientists can generate candidate designs at low marginal computational cost, whereas reliable feedback may require wet-lab synthesis, characterization, or high-fidelity computation. Addressing this imbalance through custom laboratory automation remains infrastructure-intensive and costly, while replacing new experiments with a fixed surrogate leaves persistent model errors that can be amplified by optimization. We propose online surrogate repair (OSR), a closed-loop algorithm that uses sparse high-fidelity evaluations to update the surrogate throughout a longer agent search conducted primarily with inexpensive surrogate feedback. An acquisition rule selects which designs from the agent's accumulated proposals receive high-fidelity evaluation, and the resulting labels update the surrogate used in subsequent episodes. Across controlled synthetic environments, we demonstrate that improving global surrogate fit does not necessarily reduce maximum regret, whereas Q90-UCB and expected improvement (EI) substantially reduce regret by directing evaluations toward regions that determine the optimizer's decisions. On MADE, controls receiving high-fidelity feedback after every episode require $6.36$–$7.23\times$ more oracle queries to match Online EI under two LLM orchestrators and $10.27\times$ more under the non-LLM Chemeleon+MLIP workflow. Online surrogate repair introduces a novel third feedback regime between fixed-surrogate operation and high-fidelity feedback after every episode, separating the frequency of high-fidelity evaluation from the duration of the agent's search.
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Materials Science · Cross-listed from quant-ph

Microwave-Free $^{13}$C Hyperpolarization of Diamond Particles Enabled by Magic Angle Spinning and NV Centers

Nuclear hyperpolarization from optically pumped color centers in solids offers an alternative to conventional microwave-driven dynamic nuclear polarization (DNP). Diamond can host the nitrogen vacancy (NV) center, whose ground spin state can be readily polarized by light at room temperature, making diamond a candidate platform for nuclear hyperpolarization. We report $^{13}{\rm C}$ nuclear hyperpolarization in randomly oriented diamond particles with sizes ranging from 0.2 to 2 $\mu$m, both at natural $^{13}{\rm C}$ abundance (1.1 %) and at 20 % isotopic enrichment, at magnetic fields of 7.1 T and 9.4 T. The protocol combines optical illumination with magic angle spinning (MAS) and does not require microwave irradiation. By investigating the nuclear polarization as a function of the MAS frequency between 0 and 6 kHz at the magnetic field of 7.1 T, we find maximum light-induced polarization enhancements of $280$-fold for the isotopically enriched sample and $411$-fold for the natural abundance sample. Under continuous illumination, steady-state absolute $^{13}{\rm C}$ polarization levels above 0.1 % are reached. A model involving optical pumping of NV centers and spin dynamics near level anticrossings (LACs) in three-spin clusters formed by NV, a substitutional nitrogen (P1) and $^{13}{\rm C}$ is used to describe these findings. The protocol strongly mitigates the effect of the anisotropy of the NV spin Hamiltonian, allowing more than $99.9\%$ of NV orientations to participate in the polarization transfer process. These results represent a first step toward transferring nuclear polarization from diamond particles to external nuclei, with potential applications in sensitive and high-resolution NMR at room temperature.
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All authors Rémi Blinder, Guzel Musabirova, Daehee Kim, Anshuman Nayak, Jason Twamley, Viateschlav N. Agafonov, Raiker Witter, Jörg Matysik, Fedor Jelezko

Other Condensed Matter

General solution of the Dirac equation for electrons bound by a charged atomic chain

The system of electrons bound by a charged atom chain is studied within the Dirac theory. The general analytical solution of the Dirac equation is obtained. Analytical expression for electron energy is derived from which it follows that the principal quantum number can be introduced for electron states in such a system, similar to the case of a hydrogen atom. We prove that electrons bound by the atomic chain, are fully collectivized and the energy can be calculated as a function of the occupation number. The spectral band with the principal quantum number $n$ is shown to be split into $n$ subbands forming the fine structure. The scale of the fine structure splitting is calculated.
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Statistical Mechanics

Microcanonical Hamiltonian Monte Carlo and the Helmholtz Theorem

The recently proposed Microcanonical Hamiltonian Monte Carlo algorithm has not yet been studied in detail from a thermodynamic point of view; this work aims to fill that gap. We demonstrate how thermodynamical state variables and potentials can be derived and thereby demonstrate that the construction of the algorithm formally represents a microcanonical thermodynamic ensemble. In particular, we demonstrate (analytically and numerically) that the algorithm fulfils the Helmholtz theorem, an alternative formulation of the first law of thermodynamics. Furthermore, we construct a new sampling algorithm that extends the original to lower-dimensional inference problems. Finally, we argue that canonical Markov Chain Monte Carlo algorithms are more natural than Microcanonical Hamiltonian Monte Carlo from the thermodynamic and information-theoretic point of view.
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Other Condensed Matter

Topological Edge States and Collective Radiation in a One-Dimensional Atomic Chain

We investigate the topological and collective radiative properties of a one-dimensional diatomic chain of identical quantum emitters with alternating spacing, coupled to the electromagnetic vacuum. The system realizes an extended, non-Hermitian Su-Schrieffer-Heeger-type model with vacuum-mediated long-range interactions and collective dissipation. We focus on the single-excitation manifold, where the dynamics are described by an effective Hamiltonian. For an infinite chain, the complex band structure reveals subradiant modes associated with wave vectors outside the light line, as well as parameter regimes where real-part band crossings occur. The bulk topology is characterized by a complex Berry phase, which remains quantized in the presence of inversion symmetry and a spectral gap. For finite chains, using exact diagonalization, we identify superradiant, subradiant, and edge states with distinct decay rates and spatial profiles. Edge states emerge in the topologically nontrivial regime when a bulk gap in the real part of the energy spectrum is present, while subradiant states exhibit strongly suppressed decay with system-size dependence. Finally, we analyze the far-field radiation patterns associated with different classes of eigenstates and show that the emission characteristics reflect the decay properties, spatial localization, and the parity of the unit-cell amplitudes.
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Statistical Mechanics · Cross-listed from hep-th

Exact spin form factors and correlations at a massive Kramers-Wannier interface

We determine exact finite-volume spin form factors and two-point correlations for a massive Kramer–Wannier interface in the scaling Ising model, separating ordered and disordered phases. The interface admits two complementary lattice realizations: a self-dual inhomogeneous Ising chain whose continuum limit has a sign-changing Majorana mass profile, and, after exchanging Euclidean space and time, a mixed thermal average amenable to Toeplitz/Fredholm methods. Combining these descriptions, we obtain the exact Neveu-Schwarz-Ramond spin matrix elements and a factorized Fredholm determinant for the interface correlator. Defect TCSA and independent fermionic spin-chain calculations confirm the predicted spectrum and matrix elements.
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Disordered Systems and Neural Networks · Cross-listed from quant-ph

Topology Obstructs Pure Foundation Neural Quantum States

Foundation models for ground states in spin-1/2 systems are a promising method for problems ranging from quantum chemistry to identifying new phase diagrams. Nearly all such models are currently pure-states that condition on the Hamiltonian's parameters, whose Monte Carlo samples give energy estimates according to the variational principle. In this contribution, we show that this representation is topologically obstructed. For any gapped Hamiltonian family whose ground-state bundle is non-trivial, every continuous normalized state-vector model has zero fidelity with the ground state at some parameter value in the Hamiltonian family. For that value, the energy is at least one spectral gap, $\Delta$, with an $O(\Delta)$ gap in an open-neighbourhood of that point. We show that this is a sufficient no-go also in the case of degenerate ground-state manifolds, time dynamics, and periodic systems with mixed space-time topology, demonstrating these obstructions on one- and two-qubit systems. We discuss how this causes a spike in the fidelity susceptibility, giving a numerical signature of a phase-transition where there is none. We then show that operator-valued models canonically avoid these obstructions and preserve topological information, implying a structural necessity in representation for foundation neural quantum states.
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All authors Timothy Heightman, Elena Orlova, Philip Mantrov, Aleksei Ustimenko

Mesoscale and Nanoscale Physics

Encapsulated macroscopic WS$_2$ monolayers enable room-temperature exciton-polariton lattices

Large-area, optically homogeneous monolayer semiconductors are a critical prerequisite for scalable room-temperature polaritonics and for realizing polariton lattices extending across many unit cells. Yet, the small size, optical inhomogeneity, and device-to-device variability of conventional exfoliated flakes have remained major obstacles. Here, we overcome these limitations using 1-dodecanol-encapsulated WS$_2$ monolayers that combine millimeter-scale coverage with remarkably uniform optical properties over lateral distances approaching $300\,$$\mu \mathrm{m}$. Integrated into a tunable open microcavity, these monolayers exhibit robust room-temperature exciton-photon strong coupling, evidenced by a pronounced anti-crossing and a Rabi splitting of $\hbar \Omega_{\mathrm{R}} \approx 31\,\mathrm{meV}$. Leveraging the exceptional uniformity of this platform, we realize a two-dimensional polaritonic kagome lattice and directly resolve its characteristic band structure. Angle-resolved spectroscopy reveals Dirac dispersive bands together with a weakly dispersive flat-band-like branch within the $s$-band, in good agreement with a linear non-interacting model. Complementary momentum- and real-space imaging further identifies the associated bond-centered and site-centered mode profiles. These results establish large-area WS$_2$ monolayers in open microcavities as a scalable platform for engineering polariton band structures and exploring synthetic quantum materials under ambient conditions.
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All authors Shiyu Huang, Sander Scheel, Jiang Qu, Johannes Düreth, Dominik Horneber, Edith Wietek, Simon Widmann, Libo Ma, Monika Emmerling, Martin Kamp, Simon Betzold, Alexey Chernikov, Sven Höfling, Sebastian Klembt

Strongly Correlated Electrons · Cross-listed from quant-ph

Geometry Dependence of Error Thresholds in Two-Dimensional Toric Codes

We investigate how the lattice geometry influences the error thresholds of two-dimensional toric codes. In the presence of bit- or phase-flip errors, the toric code maps onto the two-dimensional random-bond Ising model (RBIM). We determine the critical behaviour of the RBIM using replica-exchange Monte Carlo simulations. While previous studies have explored thresholds for general lattice geometries under suboptimal decoders such as minimum-weight perfect matching, the rapid development of near-optimal decoders makes resolving the ultimate, maximum-likelihood code capacity relevant. We compute these optimal error thresholds on the Nishimori line for the square, honeycomb, triangular, dice, and kagome lattices. Owing to lattice duality, the phase-flip threshold on a given lattice is equivalent to the bit-flip threshold on its dual. We find that the optimal thresholds of dual-lattice pairs display a characteristic duality-driven splitting around the self-dual square-lattice, mirroring the qualitative behaviour observed for suboptimal decoders. While the average coordination number has the strongest impact on the error threshold, our results demonstrate that the detailed arrangement of vertices and plaquettes also plays a significant role in determining its precise value.
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All authors D. Lessing, A. Langheld, C. Krämer, J.A. Koziol, K.P. Schmidt

Soft Condensed Matter

Aggressive Phase Separation in Dense Mixtures of Passive and Active Particles

Using Vicsek-like self-propulsion rule, we study kinetics of liquid-liquid phase separation in mixtures of passive and active particles. For evolutions following temperature quenches of homogeneous configurations to the immiscible region of the phase diagram, we identify a remarkably strong dependence of the domain growth exponent on the choice of final state point. The singular dependence is indicative of the possibility of even an exponentially fast growth for suitable choices of system parameters. This striking observation, supported by finite-size scaling and other advanced analyses, is despite the fact that the overall mixture density is quite high that risks congestion with the prospect of slowing down particle transport. From flocking in pure biological systems to robotic swarming, these results are of much practical relevance. Theoretical pictures suitable for interpreting such high growth rates are discussed. In this regard, we discuss coarsening in the velocity field as well that describes how the density field coarsening follows the latter.
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