Generalised-ensemble algorithms for studying temperature and pressure dependence of complex systems

DOI10.1080/08927022.2011.651139zbMath1260.82038OpenAlexW1995876612WikidataQ57905838 ScholiaQ57905838MaRDI QIDQ4905802

Yuko Okamoto, Yoshiharu Mori

Publication date: 20 February 2013

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/08927022.2011.651139

zbMATH Keywords

simulated temperingreplica-exchange methodmultibaric-multithermal algorithmgeneralised-ensemble algorithmisobaric-isothermal ensemblesoftware tool MUBATH

Mathematics Subject Classification ID

Statistical thermodynamics (82B30)

Cites Work

• RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations

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