Computational Physics Papers

Physics-informed Bayesian Optimization for Quantitative High-Resolution Transmission Electron Microscopy Xiankang Tang, Yixuan Zhang, Juri Barthel, Chun-Lin Jia, Rafal E. Dunin-Borkowski, Hongbin Zhang, Lei Jin arxiv.org/abs/2603.19943 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

Physics-Informed Long-Range Coulomb Correction for Machine-learning Hamiltonians Yang Zhong, Xiwen Li, Xingao Gong, Hongjun Xiang arxiv.org/abs/2603.20007 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚌𝚘𝚗𝚍-𝚖𝚊𝚝.𝚖𝚝𝚛𝚕-𝚜𝚌𝚒 𝚌𝚜.𝙰𝙸]

Time-delay estimation using the Wigner-Ville distribution L. de A. Gurgel, J. M. de Araújo, L. D. Machado, P. D. S. de Lima arxiv.org/abs/2603.20058 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

Deep learning-based phase-field modelling of brittle fracture in anisotropic media N. Plungė, P. Brommer, R. S. Edwards, E. G. Kakouris arxiv.org/abs/2603.20120 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

Modeling Decay Heat with a Simplified Depletion Chain in OpenMC Tanmay Gupta, Benoit Forget arxiv.org/abs/2603.17490 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

ALPHANSO: Open-Source Modeling of (α,n) Neutron Source Terms Anthony J. Nelson, Divit Rawal, William Zywiec, Daniel Siefman arxiv.org/abs/2603.17719 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚗𝚞𝚌𝚕-𝚎𝚡 𝚗𝚞𝚌𝚕-𝚝𝚑]

A unified variational framework for phase-field fracture and third-medium contact in finite deformation hyperelasticity Jaemin Kim, Gukheon Kim, Sungmin Yoon, Dong-Hwa Lee arxiv.org/abs/2603.15635 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚌𝚘𝚗𝚍-𝚖𝚊𝚝.𝚖𝚝𝚛𝚕-𝚜𝚌𝚒]

Tuning Cu/Diamond Interfacial Thermal Conductance via Nitrogen-Termination Engineering Guang Yang, Xinling Tang, Zhongkang Lin, Yulin Gu, Wei Hao, Yujie Du, Xiaoguang Wei arxiv.org/abs/2603.16347 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚌𝚘𝚗𝚍-𝚖𝚊𝚝.𝚖𝚝𝚛𝚕-𝚜𝚌𝚒]

Sub-cell Wave Reconstruction from Differentiated Riemann Variables Steve Shkoller arxiv.org/abs/2603.16830 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

Manufacturable blazed metasurface gratings designed by 3D topology optimization model Simon Ans (Laboratoire d'Astrophysique de Marseille, Institut Fresnel), … arxiv.org/abs/2603.14013 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚘𝚙𝚝𝚒𝚌𝚜]

Introduction to the artificial neural network-based variational Monte Carlo method William Freitas arxiv.org/abs/2603.15460 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

Reduced-Order Variational Deterministic-Particle-Based Scheme for Fokker-Planck Equations in Microscopic Polymer Dynamics L. Fang, X. Bao, Z. Song, S. Xu, H. Huang arxiv.org/abs/2603.12550 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚖𝚊𝚝𝚑-𝚙𝚑 𝚖𝚊𝚝𝚑.𝙼𝙿]

Advancing Machine Learning Applications in Quantum Few-Body Systems Jin Ziqi, Paolo Recchia, Mario Gattobigio arxiv.org/abs/2603.12668 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

From Experiments to Expertise: Scientific Knowledge Consolidation for AI-Driven Computational Research Haonan Huang arxiv.org/abs/2603.13191 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚌𝚘𝚗𝚍-𝚖𝚊𝚝.𝚖𝚝𝚛𝚕-𝚜𝚌𝚒 𝚌𝚜.𝙰𝙸]

Reliable Viscosity Calculation from High-Pressure Equilibrium Molecular Dynamics: Case Study of 2,2,4-Trimethylhexane Gözdenur Toraman, Dieter Fauconnier, Toon Verstraelen arxiv.org/abs/2603.11247 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

A Scattered-Field Formulation for Coupled Geometric Wakefield and Space Charge Field Simulations in Particle Accelerators J. Christ, E. Gjonaj, H. De Gersem arxiv.org/abs/2603.11731 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚊𝚌𝚌-𝚙𝚑]

A mapping-based projection of detailed kinetics uncertainty onto reduced manifolds Vansh Sharma, Shuzhi Zhang, Rahul Jain, Venkat Raman arxiv.org/abs/2603.10381 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑 𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚑𝚎𝚖-𝚙𝚑 𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚍𝚊𝚝𝚊-𝚊𝚗 𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚏𝚕𝚞-𝚍𝚢𝚗]

A multi-phase-field model for fiber-reinforced composite laminates based on puck failure theory Pavan Kumar Asur Vijaya Kumar, Rafael Fleischhacker, Aamir Dean, Heinz E Pettermann arxiv.org/abs/2603.09081 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

Infrared spectroscopy of protonated water clusters via the quantum thermal bath method and highly accurate machine-learned potentials T. Baird, R. Vuilleumier, S. Bonella arxiv.org/abs/2603.09410 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]

A GEMM-based direct solver for finite-difference Poisson problems in non-uniform grids Pedro Costa, Duarte Palancha, Joshua Romero, Roberto Verzicco, Massimiliano Fatica arxiv.org/abs/2603.09528 [𝚙𝚑𝚢𝚜𝚒𝚌𝚜.𝚌𝚘𝚖𝚙-𝚙𝚑]