Meta-optimization of maximally-localized Wannier functionsMaximally-localized Wannier functions are quantum wavefunctions resembling atomic orbitals that are used to describe electrons in condensed matter. Since their introduction in 1997, these functions…Sabyasachi Tiwari, Bruno Cucco, Viet-Anh Ha et al.·Apr 2, 2026SaveLearn
Magboltz-GUI: a Python-based graphical user interface for MagboltzMagboltz is widely used to compute electron transport properties in gas mixtures for detector applications. Its text-based workflow, however, can be a barrier for routine use, especially for users…Michele Renda. Dan Andrei Ciubotaru, Călin Alexa·Apr 2, 2026SaveLearn
Stable and Efficient Algorithms for the Fermion DeterminantSome algorithms for the numerically exact treatment of fermion determinants are summarised. This is not supposed to be a review, rather a concise handbook. The audience is expected to have a basic…Johann Ostmeyer·Apr 2, 2026SaveLearn
A multiphysics model for triboelectric nanogenerator design with explicit surface roughness representationThe design of triboelectric nanogenerators (TENGs) for efficient energy harvesting requires predictive models that capture the interplay between surface roughness, real contact area, and…MD Tanzib Ehsan Sanglap, Jack Perris, Rudra Mukherjee et al.·Apr 1, 2026SaveLearn
Stable Determinant Monte Carlo Simulations at Large Inverse Temperature βAt low temperatures T where 1/T=β1 the na\"ive implementation of determinant quantum Monte Carlo (DQMC) methods suffers from loss of precision and numerical instabilities when evaluating…Thomas Luu, Johann Ostmeyer, Petar Sinilkov et al.·Apr 1, 2026SaveLearn
A P-Adaptive Hybridizable Discontinuous Galerkin Spectral Element Method for Electrostatic Particle-in-Cell SimulationsThis paper presents a p-adaptive high-order hybridizable discontinuous Galerkin spectral element method (HDG-SEM) for solving the Poisson equation in electrostatic plasma simulations using…Tobias Ott, Stephen Copplestone, Marcel Pfeiffer·Apr 1, 2026SaveLearn
Procela: Epistemic Governance in Mechanistic Simulations Under Structural UncertaintyMechanistic simulations typically assume fixed ontologies: variables, causal relationships, and resolution policies are static. This assumption fails when the true causal structure is contested or…Kinson Vernet·Apr 1, 2026SaveLearn
Moment-preserving particle merging via non-negative least squaresA novel particle merging algorithm for rarefied gas dynamics simulations is proposed that can conserve arbitrary velocity and spatial moments of the particle distribution via solving a non-negative…Georgii Oblapenko, Manuel Torrilhon·Apr 1, 2026SaveLearn
Discovery of Symbolic Hamiltonian Expressions with Buckingham-Symplectic NetworksHamiltonian systems lie at the heart of modeling the physical world. Their defining scalar, the Hamiltonian, encodes both energy conservation and symplectic geometry in its phase-space trajectories.…Joe Germany, Joseph Bakarji, Sara Najem·Apr 1, 2026SaveLearn
Geometry-informed neural atlas for boundary value problems of complex 3D geometriesWhen three-dimensional bodies contain thin features, non-trivial topology, or scan-derived surfaces, volumetric meshing can become the dominant bottleneck in simulation workflows. We replace this…WaiChing Sun·Mar 31, 2026SaveLearn
Towards Verifiable and Self-Correcting AI Physicists for Quantum Many-Body SimulationsWhile large language models (LLMs) promise to revolutionize automated scientific discovery, their application in rigorous real-world physical research is stalled by two critical barriers: a lack of…Ken Deng, Xiangfei Wang, Guijing Duan et al.·Mar 31, 2026SaveLearn
Learning the Exact Flux: Neural Riemann Solvers with Hard ConstraintsGodunov-type methods, which obtain numerical fluxes through local Riemann problems at cell interfaces, are among the most fundamental and widely used numerical methods in computational fluid…Yucheng Zhang, Chayanon Wichitrnithed, Shukai Cai et al.·Mar 31, 2026SaveLearn
Learning noisy phase transition dynamics from stochastic partial differential equationsThe non-equilibrium dynamics of mesoscale phase transitions are fundamentally shaped by thermal fluctuations, which not only seed instabilities but actively control kinetic pathways, including rare…Luning Sun, Van Hai Nguyen, Shusen Liu et al.·Mar 31, 2026SaveLearn
Scalability of the asynchronous discontinuous Galerkin method for compressible flow simulationsThe scalability of time-dependent partial differential equation (PDE) solvers based on the discontinuous Galerkin (DG) method is increasingly limited by data communication and synchronization…Shubham Kumar Goswami, Dapse Vidyesh, Konduri Aditya·Mar 30, 2026SaveLearn
Learning Interatomic Force Coefficients from X-ray Thermal Diffuse Scattering DataWe present a fully automated framework for extracting interatomic force constants (IFCs) directly from X-ray thermal diffuse scattering (TDS) data. By formulating scattering intensity as a…Klara Suchan, Shaswat Mohanty, Hanfeng Zhai et al.·Mar 30, 2026SaveLearn
Structured force reformulation of many-body dispersion: towards effective atom--atom decomposition and surrogate modelingWe present a structured force reformulation of the many-body dispersion (MBD) model that enables a physically consistent decomposition of forces into pairwise components. By introducing a many-body…Zhaoxiang Shen, Raúl I. Sosa, Stéphane P. A. Bordas et al.·Mar 30, 2026SaveLearn
Electromagnetic Scattering by a Finite Metallic Circular Cylinders SetThe problem of electromagnetic scattering by cylinders is an old problem that has been studied in many configurations. The present publication provides a theoretical study on a not yet investigated…Matthieu Elineau, Lucille Kuhler, Alexandre Chabory·Mar 30, 2026SaveLearn
Simulation of strongly quantum-degenerate uniform electron gas using the pseudo-fermion methodFor strongly quantum-degenerate systems at finite temperatures, the fermion sign problem remains the major obstacle to first-principles simulations. In this work, we apply the recently proposed…Yunuo Xiong, Tommaso Morresi, Hongwei Xiong·Mar 30, 2026SaveLearn
Exact Phase-Space Analytical Solution for the Power-Law Damped Contact OscillatorWe present an exact phase-space analytical treatment of the power-law damped contact oscillator governed by mδ + αmkH\,δ(p-1)/2δ + kHδp = 0, valid…Y. T. Feng·Mar 29, 2026SaveLearn
A finite-precision Lanczos-Golub-Welsch route to probability-table construction in resonance self-shieldingThis work reformulates Chiba's affine-order prescription as a polynomial-moment problem for a transformed positive measure, and develops an alternative finite-precision construction route based on…Beichen Zheng·Mar 29, 2026SaveLearn
A modern Fortran library for SU(3) coupling and recoupling coefficientsThe group SU(3) has applications in several branches of physics. Many of these applications depend on availability of SU(3) coupling and recoupling coefficients. We have…Jakub Herko, Mark A. Caprio, Anna E. McCoy et al.·Mar 29, 2026SaveLearn
Characterizing Atomistic Transitions Using Cross-scale Graph-pooled Chebyshev SignaturesLarge-scale atomistic simulations can produce extreme volumes of information in the form of long trajectories. Reliably and automatically extracting key information from such datasets remains a…Rostyslav Hnatyshyn, Danny Perez·Mar 28, 2026SaveLearn
Temperature dependence of the dynamic structure factor of the electron liquid via analytic continuationWe present new analytic continuation results for the dynamic structure factor S(q,ω) of the uniform electron liquid based on quasi-exact ab initio path integral Monte Carlo…Thomas Chuna, Maximilian P. Böhme, Tobias Dornheim·Mar 28, 2026SaveLearn
Physics-Informed Neural Operator for Electromagnetic Inverse Scattering ProblemsThis paper proposes a physics-informed neural operator (PINO) framework for solving inverse scattering problems, enabling rapid and accurate reconstructions under diverse measurement conditions. In…Q. C. Dong, Zi-Xuan Su, Qing Huo Liu et al.·Mar 26, 2026SaveLearn
Adaptive finite volume-particle method for free surface flowsThis study proposes a novel adaptive finite volume-particle method (AFVPM) for accurate and efficient free surface flow simulations. The proposed AFVPM synergistically combines the Eulerian finite…Jiawang Zhang, Fengxiang Zhao, Kun Xu·Mar 26, 2026SaveLearn