A Random Batch Ewald Method for Particle Systems with Coulomb Interactions

DOI10.1137/20M1371385OpenAlexW3186660754MaRDI QIDQ5009910

Zhenli Xu, Lei Li, Yue Zhao, 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 equationsLangevin dynamicsEwald summationrandom batch method

Mathematics Subject Classification ID

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

Related Items

Asymptotic-preserving schemes for multiscale physical problems ⋮ Random Batch Methods for Classical and Quantum Interacting Particle Systems and Statistical Samplings ⋮ Random Batch Particle Methods for the Homogeneous Landau Equation ⋮ Some Random Batch Particle Methods for the Poisson-Nernst-Planck and Poisson-Boltzmann Equations ⋮ On the Random Batch Method for Second Order Interacting Particle Systems ⋮ A kernel-independent sum-of-exponentials method ⋮ Random Batch Sum-of-Gaussians Method for Molecular Dynamics Simulations of Particle Systems ⋮ Ergodicity and long-time behavior of the Random Batch Method for interacting particle systems ⋮ Hybrid random batch idea and nonlinear conjugate gradient method for accelerating charged polymer dynamics simulation ⋮ HSMA: an \(O(N)\) electrostatics package implemented in LAMMPS ⋮ A Kernel-Independent Sum-of-Gaussians Method by de la Vallee-Poussin Sums

Uses Software

• Gromacs
• CHARMM

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• A kernel-independent adaptive fast multipole algorithm in two and three dimensions
• Charge inversion in colloidal systems
• A stochastic version of Stein variational gradient descent for efficient sampling
• Asymptotics of the spectral gap with applications to the theory of simulated annealing
• Large-time behavior of perturbed diffusion Markov processes with applications to the second eigenvalue problem for Fokker-Planck operators and simulated annealing
• Sampling multipliers and the Poisson summation formula
• Random batch methods (RBM) for interacting particle systems
• A Random-Batch Monte Carlo Method for Many-Body Systems with Singular Kernels
• Binary Interaction Algorithms for the Simulation of Flocking and Swarming Dynamics
• Monte Carlo sampling methods using Markov chains and their applications
• A Stochastic Approximation Method
• Convergence of the Random Batch Method for Interacting Particles with Disparate Species and Weights
• A fast algorithm for particle simulations
• Principles of harmonic analysis