Multibaric–multithermal molecular dynamics simulation: generalized Nosé–Poincaré–Andersen method

DOI10.1080/08927020601067599MaRDI QIDQ3445897zbMATH OpenOpenAlexWikidataFDO

Authors Hisashi Okumura, Yuko Okamoto

Publication date 7 June 2007

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/08927020601067599

zbMATH Keywords

molecular dynamics simulationalanine dipeptidesymplectic integratormultibaric-multithermal algorithm

Mathematics Subject Classification ID

Molecular physics (81V55)

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• Multibaric–Multithermal Ensemble Simulation for Simple Liquids
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Cites work

• Liquid–Gas Phase Transitions Studied by Multibaric–Multithermal Monte Carlo Simulations
• The Nosé-Poincaré method for constant temperature molecular dynamics

Cited in

(3)

• Multibaric–Multithermal Ensemble Simulation for Simple Liquids
• The Nosé-Poincaré method for constant temperature molecular dynamics
• Generalised-ensemble algorithms for studying temperature and pressure dependence of complex systems

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