Search Results - "COMPUTATIONAL physics"

Lattice dynamics modeling of thermal transport in solids using machine-learned atomic cluster expansion potentials: A tutorial.

Authors: Guo, Liben Liu, Yuanbin Yang, Lei et al.

Source: Journal of Applied Physics. 2/28/2025, Vol. 137 Issue 8, p1-12. 12p.

Subject Terms: *LATTICE dynamics, *COMPUTATIONAL physics, *ATOMIC clusters, *COMPUTATIONAL chemistry, *AMORPHOUS silicon

Computing excited eigenstates using inexact Lanczos methods and tree tensor network states.

Authors: Rano, Madhumita Larsson, Henrik R.

Source: Journal of Chemical Physics; 10/28/2025, Vol. 163 Issue 16, p1-15, 15p

Subject Terms: QUANTUM mechanics, EXCITED states, LANCZOS method, ACETONITRILE, COMPUTATIONAL physics

Aneesur Rahman: Pioneer of molecular simulation.

Authors: Sastry, Srikanth¹ (AUTHOR) sastry@jncasr.ac.in

Source: Journal of Chemical Physics. 5/7/2025, Vol. 162 Issue 17, p1-3. 3p.

Subject Terms: *CONDENSED matter physics, *COMPUTATIONAL physics, *MOLECULAR dynamics, *NONEQUILIBRIUM statistical mechanics, *INELASTIC neutron scattering

New methods in the study of problems in Statistical Mechanics and Stochastic Processes

Authors: Masullo, Fabrizio

Contributors: University/Department: Universitat Rovira i Virgili. Departament d'Enginyeria Química

Thesis Advisors: Bonet Avalos, José, Mackie Walker, Allan Donald

Source: TDX (Tesis Doctorals en Xarxa)

Subject Terms: Inteligancia Artificial, Ecuaciones diferenciales Aleatorias, Física Computacional, Intel·ligència Artificial, Equacions Diferencials Aleatòries, Artificial Intelligence, Random Differential Equations, Computational Physics, Ciències

Time: 538.9

File Description: application/pdf

Access URL: http://hdl.handle.net/10803/690548

Application of machine learning and convex limiting to subgrid flux modeling in the shallow-water equations

Authors: Ilya Timofeyev Alexey Schwarzmann Dmitri Kuzmin

Source: Mathematics and Computers in Simulation. 238:163-178

Subject Terms: FOS: Computer and information sciences, Computer Science - Machine Learning, Physics - Atmospheric and Oceanic Physics, Statistics - Machine Learning, 65M99, Atmospheric and Oceanic Physics (physics.ao-ph), Fluid Dynamics (physics.flu-dyn), FOS: Physical sciences, Machine Learning (stat.ML), Physics - Fluid Dynamics, Computational Physics (physics.comp-ph), Physics - Computational Physics, Machine Learning (cs.LG)

Access URL: http://arxiv.org/abs/2407.17214

Utility of high-order scheme for unsteady flow simulations: Comparison with second-order tool

Authors: Peng Jiang Yichen Huang Yong Cao et al.

Source: Journal of Ocean Engineering and Science. 10:774-787

Subject Terms: Fluid Dynamics (physics.flu-dyn), FOS: Physical sciences, Physics - Fluid Dynamics, Computational Physics (physics.comp-ph), Physics - Computational Physics

Access URL: http://arxiv.org/abs/2407.19764

Spherical Harmonics collocation: a computational intercomparison of several grids.

Authors: Bellet, Jean-Baptiste Brachet, Matthieu Croisille, Jean-Pierre

Source: Numerical Algorithms. Dec2025, Vol. 100 Issue 4, p2021-2040. 20p.

Subject Terms: *SPHERICAL harmonics, *COMPUTATIONAL physics, *DISCRETIZATION methods, *NUMERICAL analysis, *SPHERICAL coordinates, *ICOSAHEDRA, *SPHERES

Machine Learning Model for Efficient Nonthermal Tuning of the Charge Density Wave in Monolayer NbSe2

Authors: Luka Benić Federico Grasselli Chiheb Ben Mahmoud et al.

Source: Journal of Chemical Theory and Computation. 21:8130-8141

Subject Terms: Condensed Matter - Materials Science, Condensed Matter - Strongly Correlated Electrons, machine learning, Helmholtz free energy, Strongly Correlated Electrons (cond-mat.str-el), charge density wave, mononalyer NbSe2, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, charge density wave phase, Computational Physics (physics.comp-ph), Physics - Computational Physics

Access URL: http://arxiv.org/abs/2505.05384

Modeling Quantum Links for the Exploration of Distributed Quantum Computing Systems

Authors: Rached, Sahar Ben Sun, Zezhou Khan, Junaid et al.

Source: Proceedings of the ICTON 2025

Subject Terms: Quantum Physics, FOS: Physical sciences, Computational Physics (physics.comp-ph), Quantum Physics (quant-ph), Physics - Computational Physics

Access URL: http://arxiv.org/abs/2505.08577

Aperiodic defects in periodic solids.

Authors: Lavroff, Robert H. Kats, Daniel Maschio, Lorenzo et al.

Source: Journal of Chemical Physics; 8/28/2025, Vol. 163 Issue 8, p1-7, 7p

Subject Terms: APERIODICITY, THERMODYNAMICS, COMPUTATIONAL physics, EMBEDDINGS (Mathematics), NUMERICAL analysis

Enriched physics-informed neural networks for dynamic Poisson-Nernst-Planck systems

Authors: Xujia Huang Fajie Wang Benrong Zhang et al.

Source: Mathematics and Computers in Simulation. 237:231-246

Subject Terms: 65M99, 35M33, 68T07, Computer Science - Machine Learning, Physics - Computational Physics

Access URL: http://arxiv.org/abs/2402.01768

Hydrodynamic modeling of plasma channel systems for laser plasma accelerators

Authors: Cook, Nathan M Wolfinger, Kathryn Hall, Christopher et al.

Subject Terms: Nuclear and Plasma Physics, Physical Sciences, Accelerators, Plasma wakefield accelerators, Laser plasma accelerators, Plasma channels, Computational physics, High performance computing, ATAP-2025, ATAP-GENERAL, ATAP-BELLA Center, Astronomical and Space Sciences, Atomic, Molecular, Nuclear, Particle and Plasma Physics, Other Physical Sciences, Nuclear & Particles Physics, Nuclear and plasma physics

File Description: application/pdf

Access URL: https://escholarship.org/uc/item/4xg129k9
https://escholarship.org/content/qt4xg129k9/qt4xg129k9.pdf

Negative Weights and Weight Cancellation to Treat Anisotropic Scattering in Multigroup Monte Carlo Simulations

Authors: Parth Singh Hunter Belanger

Source: Nuclear Science and Engineering. :1-23

Subject Terms: FOS: Physical sciences, Computational Physics (physics.comp-ph), Physics - Computational Physics

Access URL: http://arxiv.org/abs/2503.01984

A Deep Learning Method for Computing Committor Functions with Adaptive Sampling

Authors: Bo Lin Weiqing Ren

Source: SIAM Journal on Scientific Computing. 47:C1091-C1114

Subject Terms: FOS: Computer and information sciences, Computer Science - Machine Learning, FOS: Mathematics, FOS: Physical sciences, Mathematics - Numerical Analysis, Numerical Analysis (math.NA), Computational Physics (physics.comp-ph), Physics - Computational Physics, Machine Learning (cs.LG)

Access URL: http://arxiv.org/abs/2404.06206

A Massively Parallel Performance Portable Free-Space Spectral Poisson Solver

Authors: Sonali Mayani Veronica Montanaro Antoine Cerfon et al.

Source: ACM Transactions on Mathematical Software. 51:1-23

Subject Terms: FOS: Computer and information sciences, Computational Physics, FOS: Physical sciences, Distributed, Parallel, and Cluster Computing, Distributed, Parallel, and Cluster Computing (cs.DC), Computational Physics (physics.comp-ph)

Access URL: http://arxiv.org/abs/2405.02603

One-Cell Inversion for Solving Higher-Order Time-Dependent Radiation Transport on GPUs

Authors: Joanna Piper Morgan Ilham Variansyah Todd S. Palmer et al.

Source: Nuclear Science and Engineering. :1-20

Subject Terms: FOS: Physical sciences, Computational Physics (physics.comp-ph), Physics - Computational Physics

Access URL: http://arxiv.org/abs/2503.00264

A Gradient Flow Model for Ground State Calculations in Wigner Formalism Based on Density Functional Theory

Authors: Guanghui Hu Ruo Li Hongfei Zhan

Source: SIAM Journal on Scientific Computing. 47:A2456-A2480

Subject Terms: FOS: Physical sciences, Mathematical Physics (math-ph), Computational Physics (physics.comp-ph), Physics - Computational Physics, Mathematical Physics, 65M70, 70G60, 81S30

Access URL: http://arxiv.org/abs/2409.10851

Optimized Auxiliary Functions for Robust Mitigation of Finite-Size Errors in Periodic Hybrid Density Functional Theory

Authors: Stephen Jon Quiton Juan D. F. Pottecher Xin Xing et al.

Source: Journal of Chemical Theory and Computation. 21:8863-8875

Subject Terms: Chemical Physics (physics.chem-ph), Computational Physics, Chemical Physics, FOS: Physical sciences, Computational Physics (physics.comp-ph)

Access URL: http://arxiv.org/abs/2506.19157

Thermoplasmonics of Gold-Core Silica-Shell Colloidal Nanoparticles under Pulse Illumination

Authors: Julien El Hajj Gilles Ledoux Samy Merabia

Source: The Journal of Physical Chemistry C. 129:16355-16370

Subject Terms: Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Computational Physics (physics.comp-ph), Physics - Computational Physics

Access URL: http://arxiv.org/abs/2506.04835

Numerical evaluation of the Kirchhoff–Helmholtz integral outside a sphere

Authors: M. J. Carley

Source: Carley, M 2025, 'Numerical evaluation of the Kirchhoff--Helmholtz integral outside a sphere', Journal of the Acoustical Society of America, vol. 158, no. 3, pp. 2622-2630. https://doi.org/10.1121/10.0039386

Subject Terms: Numerical Analysis, Computational Physics, Classical Physics, Analysis of PDEs, FOS: Mathematics, Classical Physics (physics.class-ph), FOS: Physical sciences, Numerical Analysis (math.NA), Computational Physics (physics.comp-ph), Analysis of PDEs (math.AP)

File Description: application/pdf

Access URL: http://arxiv.org/abs/2506.04809
https://purehost.bath.ac.uk/ws/files/376414671/carley-2025.pdf