A Random Batch Ewald Method for Particle Systems with Coulomb Interactions

DOI10.1137/20M1371385MaRDI QIDQ5009910

Yue Zhao, Zhenli Xu, Lei Li, Shih Jin

Publication date: 9 August 2021

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

Full work available at URL: https://arxiv.org/abs/2010.01559

zbMATH Keywords

stochastic differential equations; Langevin dynamics; Ewald summation; random batch method

Mathematics Subject Classification ID

65T50: Numerical methods for discrete and fast Fourier transforms

65C35: Stochastic particle methods

82M37: Computational molecular dynamics in statistical mechanics

Uses Software

• Gromacs
• CHARMM