Random batch sum-of-Gaussians method for molecular dynamics simulations of particle systems

J Liang, Z Xu, Q Zhou - SIAM Journal on Scientific Computing, 2023 - SIAM
We develop an accurate, highly efficient, and scalable random batch sum-of-Gaussians
(RBSOG) method for molecular dynamics simulations of systems with Coulomb interactions …

Fast algorithm for quasi-2D Coulomb systems

Z Gan, X Gao, J Liang, Z Xu - arXiv preprint arXiv:2403.01521, 2024 - arxiv.org
Quasi-2D Coulomb systems are of fundamental importance and have attracted much
attention in many areas nowadays. Their reduced symmetry gives rise to interesting …

A Kernel-independent sum-of-exponentials method

Z Gao, J Liang, Z Xu - Journal of Scientific Computing, 2022 - Springer
We propose an accurate algorithm for a novel sum-of-exponentials (SOE) approximation of
kernel functions, and develop a fast algorithm for convolution quadrature based on the SOE …