Application of the G-JF discrete-time thermostat for fast and accurate molecular simulations

DOI10.1016/j.cpc.2013.10.006zbMath1348.82064arXiv1303.7011OpenAlexW2079368418MaRDI QIDQ339756

Niels Grønbech-Jensen, Oded Farago, Natha Robert Hayre

Publication date: 11 November 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1303.7011

zbMATH Keywords

stochastic differential equationsmolecular dynamicssimulated Langevin dynamicsVerlet algorithm

Mathematics Subject Classification ID

Stochastic ordinary differential equations (aspects of stochastic analysis) (60H10) Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31)

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Cites Work

• Fast parallel algorithms for short-range molecular dynamics
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