Random Batch Sum-of-Gaussians Method for Molecular Dynamics Simulations of Particle Systems

DOI10.1137/22m1497201arXiv2205.13824OpenAlexW4387340382MaRDI QIDQ6074538

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Publication date: 12 October 2023

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2205.13824

zbMATH Keywords

importance samplingmolecular dynamics simulationselectrostatic interactionssum-of-Gaussians

Mathematics Subject Classification ID

Numerical methods for discrete and fast Fourier transforms (65T50) Stochastic particle methods (65C35) Computational molecular dynamics in statistical mechanics (82M37)

Cites Work

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