Random batch ewald method for dielectrically confined Coulomb systems

DOI10.1137/24M1655809MaRDI QIDQ6955283zbMATH OpenFDO

Authors Zecheng Gan, Xuanzhao Gao, Jiuyang Liang, Zhenli Xu

Publication date 23 July 2025

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

Full work available at URL https://doi.org/10.1137/24M1655809

zbMATH Keywords

dielectric interfacesmolecular dynamicsquasi-2D Coulomb systemrandom batch Ewald

Mathematics Subject Classification ID

Stochastic particle methods (65C35) Numerical methods for discrete and fast Fourier transforms (65T50) Parallel numerical computation (65Y05) Computational molecular dynamics in statistical mechanics (82M37)

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Cited in

(4)

• A fast spectral sum-of-Gaussians method for electrostatic summation in quasi-2D systems
• On random batch methods (RBM) for interacting particle systems driven by Lévy processes
• Symmetry-preserving random batch ewald method for constant-potential simulation of electrochemical systems
• Zeta expansion for long-range interactions under periodic boundary conditions with applications to micromagnetics

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