The molecular-dynamics method for different statistical ensembles

DOI10.1007/S11182-005-0094-1MaRDI QIDQ852234zbMATHOpenAlexFDO

Authors V. V. Kulagina, S. V. Eremeev, A. I. Potekaev

Publication date 28 November 2006

Published in Russian Physics Journal (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s11182-005-0094-1

Mathematics Subject Classification ID

Molecular physics (81V55) Classical equilibrium statistical mechanics (general) (82B05)

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Cited in

(8)

• Some remarks on sampling methods in Molecular Dynamics
• Generalized-ensemble algorithms for molecular dynamics simulations
• Molecular Simulation in the Canonical Ensemble and Beyond
• Implementation of isotension ensemble in molecular dynamics
• On (Andersen-)Parrinello-Rahman molecular dynamics, the related metadynamics, and the use of the Cauchy-Born rule
• A static analog of molecular dynamics method for crystals
• Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling
• Constant pressure Langevin dynamics: theory and application

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