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

DOI10.1080/08927022.2011.651139MaRDI QIDQ4905802zbMATH OpenOpenAlexWikidataFDO

Authors Yoshiharu Mori, Yuko Okamoto

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)

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Cites work

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

Cited in

(4)

• scientific article; zbMATH DE number 5360766 (Why is no real title available?)
• A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble
• Anisotropic pressure molecular dynamics for atomic fluid systems
• Multibaric–multithermal molecular dynamics simulation: generalized Nosé–Poincaré–Andersen method

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