Design of quasisymplectic propagators for Langevin dynamics

J Chem Phys. 2007 Jul 28;127(4):044108. doi: 10.1063/1.2753496.

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 time step algorithms.