Design of quasi-symplectic propagators for Langevin dynamics

Simone Melchionna

doi:10.1063/1.2753496

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arXiv · 0705.1844

Design of quasi-symplectic propagators for Langevin dynamics

Simone Melchionna

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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.

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Simone Melchionna. 2007-05-14. Design of quasi-symplectic propagators for Langevin dynamics. https://doi.org/10.1063/1.2753496

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