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

DOI10.1080/08927020601067599zbMATH Open1113.81331OpenAlexW2037590061WikidataQ57905992 ScholiaQ57905992MaRDI QIDQ3445897FDOQ3445897

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

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zbMATH Keywords

molecular dynamics simulationalanine dipeptidesymplectic integratormultibaric-multithermal algorithm

Mathematics Subject Classification ID

Molecular physics (81V55)

Cites Work

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

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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