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Physics Preprint PDF DOI

Multi-scale calculation of light-induced structural changes in low-angle twisted bilayer WSe$_2$

Rafael R. Del Grande, David A. Strubbe · 2026

Exciton-phonon interactions in transition metal dichalcogenides (TMD) are strong and lead to phenomena such as coherent phonon generation. When stacked and twisted, their properties can be tuned by th…

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Physics Preprint PDF DOI

Polar Topologies in a Ferroelastic Metal Membrane

Rahil Haria, Noah Schnitzer, T. Ben Britton, Yaqi Li, Tom J. P. Irons, Sophia Linssen Pitsaros, Ella Banyas, Geri Topore, Annabel Hoyes, Mariana Palos, Sinead M. Griffin, Katherine Inzani, Michele Shelly Conroy · 2026

Polar metals, materials in which electric polarisation and metallicity coexist, are exceptionally rare because itinerant electrons screen long-range dipoles and favour centrosymmetric structures. Engi…

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Mathematics Preprint PDF DOI

Property $R_\infty$ for generalized Higman groups

Ignat Soroko, Nicolas Vaskou · 2026

We give a unified proof of property $R_\infty$ for the Higman groups $H_n$ ($n\ge 4$) and for their generalizations studied by Martin and Horbez--Huang. As a key step, we prove that the automorphism g…

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Physics Preprint PDF DOI

Nonadiabatic Renormalization Group for Strongly Coupled Multiscale Quantum Systems

Bing Gu · 2026

Complex quantum systems are often multiscale in nature with strong interactions between different scales. We present a novel idea: iteratively suppressing, rather than tracing out, the fast, high-ener…

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Physics Preprint PDF DOI

Unmasking Hidden Wigner's Symmetry from First Principles

Phong Dang, Daniel Langr, Tomas Dytrych, Jerry P. Draayer, David Kekejian · 2026

We present quantitative evidence that high-quality internucleon forces derived from $\chi$EFT exhibit a striking dominance of Wigner's supermultiplet symmetry, without invoking the large-$N_c$ limit o…

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Physics Preprint PDF DOI

Hybrid hadrons at rest and on the light front

Edward Shuryak, Ismail Zahed · 2026

We present a unified description of heavy hybrid hadrons based on a constituent-gluon picture embedded in the Born-Oppenheimer (BO) framework. In this approach, the gluonic excitation is treated as a …

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Physics Preprint PDF DOI

The temperature dependent geometric phase

Zheng-Chuan Wang · 2026

There exists a geometric phase for a quantum state during the adiabatic evolution of the system. If the adiabatic procedure happens between the system and the environment interacting with it similar t…

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Physics Preprint PDF DOI

aim2dat: A Python infrastructure for automated ab initio material modeling and data analysis

Holger-Dietrich Sa{ss}nick, Joshua Edzards, Timo Reents, Caterina Cocchi · 2026

The emergence of data-driven computational materials science offers unprecedented opportunities to explore complex material landscapes, complementing experimental research with the discovery of novel …

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Physics Preprint PDF DOI

Phases and dynamics of an impurity immersed in one-dimensional quantum droplets

Dimitrios Diplaris, Ilias A. Englezos, Friethjof Theel, Peter Schmelcher, Simeon I. Mistakidis · 2026

We explore the ground-state properties of a single impurity immersed in a one-dimensional quantum droplet medium formed by a two-component Bose mixture. Relying on ab-initio simulations, we demonstrat…

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Physics Preprint PDF DOI

Lattice Topological Defects in Non-Unitary Conformal Field Theories

Madhav Sinha, Thiago Silva Tavares, Hubert Saleur, Ananda Roy · 2026

Topological defects play a fundamental role in the investigation of symmetries in quantum field theories. For conformal field theories in two space-time dimensions, it is possible to construct these d…

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Physics Preprint PDF DOI

Benchmarking Universal Machine-Learned Interatomic Potentials for High-Temperature Metal-Organic Framework Chemistry

Connor W. Edwards, Jack D. Evans · 2026

Universal machine-learned interatomic potentials (uMLIPs) offer a promising approach to performing atomistic simulations at near-DFT accuracy with greatly reduced computational cost. Here, we present …

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Physics Preprint PDF DOI

How Quantum Contextuality disappears in the Classical Limit

Arthur C. R. Dutra, Roberto D. Baldijao, Marcelo Terra Cunha · 2026

The emergence of classicality is fundamentally driven by the interaction between a quantum system and its environment. Foundational open-system approaches, notably the Caldeira-Leggett model, successf…

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Chemistry Preprint PDF DOI

Enhancing molecular dynamics with equivariant machine-learned densities

Mihail Bogojeski, Muhammad R. Hasyim, Leslie Vogt-Maranto, Klaus-Robert Muller, Kieron Burke, Mark E. Tuckerman · 2026

Machine-learning interatomic potentials (MLIPs) have enabled molecular dynamics at near ab initio accuracy, yet remain limited to energies and forces by construction, leaving electronic observables su…

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Physics Preprint PDF DOI

Trillion-atom molecular dynamics simulations with ab initio accuracy

Pengfei Suo, Wudi Cao, Xingxing Wu, Wenjie Zhang, Zheyong Fan, Shuanghan Xian, Rui Wang, Cheng Qian, Chao Liang, Qinghong Yuan, Xiaoshuang Chen, Pengfei Guan, Jingde Bu, Hongzhen Tian, Yanjing Su, Feng Ding, Lin-Wang Wang · 2026

Material properties are fundamentally dictated by multiscale phenomena, which often reach mesoscale in size. The {\mu}m mesoscale is also the size which can be observed directly under an optical micro…

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Computer Science Preprint PDF DOI

Unfolding an Atomistic World: Atomistic Simulation of Reactor Pressure Vessel Steel Across Year-and-Meter Scales

Haozhi Han, Ruge Zhang, Haoquan Chen, Yifeng Chen, Haipeng Jia, Liang Yuan, Yunquan Zhang, Ting Cao, Yunxin Liu, Ya-Qin Zhang, Kun Li · 2026

Lifetime prediction of reactor pressure vessel (RPV) steel requires bridging atomistic degradation mechanisms with service-scale spatial and temporal regimes, from Angstroms and picoseconds to meters …

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Physics Preprint PDF DOI

Core-Hole Excitation Dynamics of One-Dimensional Ultracold Trapped Fermions

Andre Becker, Georgios M. Koutentakis, Peter Schmelcher · 2026

We investigate the nonequilibrium dynamics of core-hole excitations in a one-dimensional fermionic few-body system consisting of a spin-polarized Fermi bath coupled to a single heavy mobile impurity. …

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Mathematics Preprint PDF DOI

Countable Fan Tightness and Selection Games in Group-Valued Function Spaces

Souvik Mandal, Ankur Sarkar · 2026

Game-theoretic characterizations of selection principles provide a powerful framework for analyzing covering properties through strategic interactions. For a Tychonoff space $X$ and a non-trivial metr…

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Physics Preprint PDF DOI

Magnetic interactions and spin orders in Cr$_8$ and V$_8$ ring-shaped molecular magnets from non-collinear ab initio calculations

Maria Barbara Maccioni, Elia Stocco, Luca Binci, Andrea Floris, Matteo Cococcioni · 2026

We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation…

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AI & Data Science Preprint PDF DOI

Rethinking Trust Region Bayesian Optimization in High Dimensions

Wei-Ting Tang, Joel A. Paulson · 2026

Trust Region Bayesian Optimization (TuRBO) is an effective strategy for alleviating the curse of dimensionality in high-dimensional black-box optimization. However, inappropriate lengthscale design ca…

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Physics Preprint PDF DOI

Ab initio short-range nuclear matrix elements for neutrinoless double-beta decay

A. Todd, T. Shickele, A. Belley, L. Jokiniemi, J. D. Holt · 2026

We present converged ab initio calculations of short-range neutrinoless double-beta ($0\nu\beta\beta$) decay nuclear matrix elements for the key experimental isotopes $^{76}$Ge, $^{82}$Se, $^{130}$Te …

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