13 citations · 30 across the 10 of their papers we have counts for
10 papers
Local Relaxation Fast Poisson Methods on Hierarchical Meshes
Zhenli Xu, Qian Yin, Hongyu Zhou
The local relaxation algorithm is promising for fast solution of Poisson's equations, which computes the electric field distribution in a stepwise manner via local curl-free update…
Random Batch Sum-of-Gaussians Method for Molecular Dynamics of Born-Mayer-Huggins Systems
Chen Chen, Jiuyang Liang, Zhenli Xu +1
The Born-Mayer-Huggins (BMH) potential, which combines Coulomb interactions with dispersion and short-range exponential repulsion, is widely used for ionic materials such as molten…
Random batch sum-of-Gaussians algorithm for molecular dynamics simulations of Yukawa systems in three dimensions
Chen Chen, Jiuyang Liang, Zhenli Xu
Yukawa systems have drawn widespread interest across various applications. In this paper, we introduce a novel random batch sum-of-Gaussians (RBSOG) algorithm for molecular dynamic…
A fast spectral sum-of-Gaussians method for electrostatic summation in quasi-2D systems
Xuanzhao Gao, Shidong Jiang, Jiuyang Liang +2
The quasi-2D electrostatic systems, characterized by periodicity in two dimensions with a free third dimension, have garnered significant interest in many fields. We apply the sum-…
Variance-reduced random batch Langevin dynamics
Zhenli Xu, Yue Zhao, Qi Zhou
The random batch method is advantageous in accelerating force calculations in particle simulations, but it poses a challenge of removing the artificial heating effect in applicatio…
RBMD: A molecular dynamics package enabling to simulate 10 million all-atom particles in a single graphics processing unit
Weihang Gao, Teng Zhao, Yongfa Guo +9
This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD…
A note on accurate pressure calculations of Coulomb systems with periodic boundary conditions
Lei Li, Jiuyang Liang, Zhenli Xu
In this note, we address some issues concerning the accurate pressure calculation of Coulomb systems with periodic boundary conditions. First, we prove that the formulas for the ex…
Random Batch Ewald Method for Dielectrically Confined Coulomb Systems
Zecheng Gan, Xuanzhao Gao, Jiuyang Liang +1
Quasi two-dimensional Coulomb systems have drawn widespread interest. The reduced symmetry of these systems leads to complex collective behaviors, yet simultaneously poses signific…
Fast Algorithm for Quasi-2D Coulomb Systems
Zecheng Gan, Xuanzhao Gao, Jiuyang Liang +1
Quasi-2D Coulomb systems are of fundamental importance and have attracted much attention in many areas nowadays. Their reduced symmetry gives rise to interesting collective behavio…
Energy Stable Scheme for Random Batch Molecular Dynamics
Jiuyang Liang, Zhenli Xu, Yue Zhao
The computational bottleneck of molecular dynamics is the pairwise additive long-range interactions between particles. The random batch Ewald (RBE) method provides a highly efficie…