Design of quasi-symplectic propagators for Langevin dynamics

TL;DR

This paper introduces a vector field splitting method to systematically derive numerical propagators for Langevin dynamics, enhancing the accuracy and efficiency of simulations.

Contribution

It presents a new class of numerical integrators for Langevin dynamics based on vector field splitting, applicable to single and multiple timestep algorithms.

Findings

Developed systematic derivation of Langevin integrators

Enhanced stability and accuracy of Langevin simulations

Applicable to various timestep schemes

Abstract

A vector field splitting approach is discussed for the systematic derivation of numerical propagators for deterministic dynamics. Based on the formalism, a class of numerical integrators for Langevin dynamics are presented for single and multiple timestep algorithms.