The molecular-dynamics method for different statistical ensembles

DOI10.1007/S11182-005-0094-1MaRDI QIDQ852234zbMATH OpenOpenAlexFDO

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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(8)

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• Implementation of isotension ensemble in molecular dynamics
• A static analog of molecular dynamics method for crystals
• Constant pressure Langevin dynamics: theory and application
• Generalized-ensemble algorithms for molecular dynamics simulations
• Molecular Simulation in the Canonical Ensemble and Beyond
• Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling
• Some remarks on sampling methods in Molecular Dynamics

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