Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics

DOI10.1016/j.jcp.2016.07.034zbMath1360.82089arXiv1607.08510OpenAlexW2481959213MaRDI QIDQ525935

Xiaocheng Shang, Benedict J. Leimkuhler

Publication date: 8 May 2017

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1607.08510

zbMATH Keywords

stochastic differential equationsmolecular dynamicsorder of convergenceconfigurational temperaturemomentum conservationdissipative particle dynamicspairwise adaptive Langevin thermostatpairwise nosé-Hoover-Langevin thermostat

Mathematics Subject Classification ID

Related Items (5)

Accurate and robust splitting methods for the generalized Langevin equation with a positive prony series memory kernel ⋮ Structure-preserving integrators for dissipative systems based on reversible– irreversible splitting ⋮ Dissipative Particle Dynamics: Foundation, Evolution, Implementation, and Applications ⋮ Time Correlation Functions of Equilibrium and Nonequilibrium Langevin Dynamics: Derivations and Numerics Using Random Numbers ⋮ Accurate and Efficient Splitting Methods for Dissipative Particle Dynamics

Uses Software

• CP2K

Cites Work

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