Design of quasi-symplectic propagators for Langevin dynamics

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.

References in corpus (5)

• Multiscale coupling of molecular dynamics and hydrodynamics: application to DNA translocation through a nanopore
• Quasi symplectic integrators for stochastic differential equations
• Efficient numerical integrators for stochastic models
• Fourth Order Algorithms for Solving the Multivariable Langevin Equation and the Kramers Equation
• Dynamical Multiple-Timestepping Methods for Overcoming the Half-Period Time Step Barrier

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