A Metropolis adjusted Nosé-Hoover thermostat

DOI10.1051/m2an/2009023zbMath1171.82317OpenAlexW2131969999MaRDI QIDQ5192620

Benedict J. Leimkuhler, Sebastian Reich

Publication date: 6 August 2009

Published in: ESAIM: Mathematical Modelling and Numerical Analysis (Search for Journal in Brave)

Full work available at URL: https://eudml.org/doc/194473

zbMATH Keywords

canonical ensemblemolecular dynamicshybrid Monte Carlothermostats

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Monte Carlo methods (65C05) Applications of stochastic analysis (to PDEs, etc.) (60H30) Irreversible thermodynamics, including Onsager-Machlup theory (82C35)

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Uses Software

• GSHMC

Cites Work

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