3 citations · 4 across the 13 of their papers we have counts for
5 papers · 1 filter
RBMD 2.0: Random batch molecular dynamics package for large-scale simulations on multi-GPU architectures
Qi Zhou, Yongfa Guo, Jincheng Zhong +3
Large-scale molecular dynamics simulations of particle systems on multi-GPU architectures are often constrained by the computational and communication costs of nonbonded force eval…
A fast sum-of-Gaussians algorithm for the high-dimensional fractional Fokker-Planck equation
Shidong Jiang, Dong Wang, Qi Zhou
We present a fast, high-order algorithm for the free-space fractional Fokker-Planck equation (FFPE) in arbitrary spatial dimension. Its fundamental solution, corresponding to a Dir…
Spectral convergence of sum-of-Gaussians tensor neural networks for many-electron Schrödinger equation
Teng Wu, Qi Zhou, Huangjie Zheng +2
We present an improved version of the sum-of-Gaussians tensor neural network (SOG-TNN) architecture for solving many-electron Schrödinger equation for one-dimensional soft-Coulomb…
Random batch sum-of-Gaussians method for molecular dynamics simulation of particle systems in the NPT ensemble
Zhen Jiang, Jiuyang Liang, Qi Zhou
In this work, we develop a random batch sum-of-Gaussians (RBSOG) method for molecular dynamics simulations of charged systems in the isothermal-isobaric (NPT) ensemble. We introduc…
An Monte Carlo method for periodic Coulomb systems
Xuanzhao Gao, Shidong Jiang, Jiuyang Liang +1
Efficient Monte Carlo (MC) sampling of many-body systems with long-range electrostatics is often limited by the cost of per-move energy-difference evaluation under periodic boundar…