Hybrid random batch idea and nonlinear conjugate gradient method for accelerating charged polymer dynamics simulation

DOI10.1007/S10910-023-01547-8MaRDI QIDQ6149337zbMATH OpenOpenAlexFDO

Authors Hao Lin, Yiwei Shi, Shuyang Dai

Publication date 5 March 2024

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-023-01547-8

zbMATH Keywords

\(N\)-body interactionsdifferent dielectric systemsenergy minimizationnonlinear conjugate gradient methodrandom batch idea

Mathematics Subject Classification ID

Probabilistic methods, stochastic differential equations (65Cxx) Numerical methods for mathematical programming, optimization and variational techniques (65Kxx) Mathematical programming (90Cxx)

Recommendations

• Random Batch Sum-of-Gaussians Method for Molecular Dynamics Simulations of Particle Systems
• A new algorithm for electrostatic interactions in Monte Carlo simulations of charged particles
• Random batch algorithms for quantum Monte Carlo simulations
• Random Batch Methods for Classical and Quantum Interacting Particle Systems and Statistical Samplings

Cites work

• A modified Wei-Yao-Liu conjugate gradient method for unconstrained optimization
• A new class of nonlinear conjugate gradient coefficients with exact and inexact line searches
• A new class of nonlinear conjugate gradient coefficients with global convergence properties
• A Random Batch Ewald Method for Particle Systems with Coulomb Interactions
• A Random-Batch Monte Carlo Method for Many-Body Systems with Singular Kernels
• A stochastic version of Stein variational gradient descent for efficient sampling
• An EXCMG accelerated multiscale multigrid computation for 3D Poisson equation
• An improved Wei-Yao-Liu nonlinear conjugate gradient method for optimization computation
• Another improved Wei-Yao-Liu nonlinear conjugate gradient method with sufficient descent property
• Binary Interaction Algorithms for the Simulation of Flocking and Swarming Dynamics
• Comments on a new class of nonlinear conjugate gradient coefficients with global convergence properties
• Convergence of the random batch method for interacting particles with disparate species and weights
• Fast algorithms for classical physics
• Multigrid method and fourth-order compact difference discretization scheme with unequal meshsizes for 3D Poisson equation
• New hybrid conjugate gradient method for unconstrained optimization
• On the random batch method for second order interacting particle systems
• Random batch methods (RBM) for interacting particle systems
• Rapid solution of integral equations of classical potential theory
• Some modified conjugate gradient methods for unconstrained optimization
• Some random batch particle methods for the Poisson-Nernst-Planck and Poisson-Boltzmann equations
• The convergence properties of RMIL+ conjugate gradient method under the strong Wolfe line search
• The convergence properties of some new conjugate gradient methods
• The proof of the sufficient descent condition of the Wei-Yao-Liu conjugate gradient method under the strong Wolfe-Powell line search
• The Random Batch Method for N-Body Quantum Dynamics

This page was built for publication: Hybrid random batch idea and nonlinear conjugate gradient method for accelerating charged polymer dynamics simulation

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6149337)