Constant pressure Langevin dynamics: theory and application

DOI10.1016/J.CPC.2005.03.072zbMath1196.76057DBLPjournals/cphysics/QuigleyP05OpenAlexW2088182347WikidataQ62517210 ScholiaQ62517210MaRDI QIDQ709770

M. I. J. Probert, D. Quigley

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2005.03.072

zbMATH Keywords

Langevin dynamicsab-initio molecular dynamicsnon-Hamiltonian systems

Mathematics Subject Classification ID

Dynamical systems in fluid mechanics, oceanography and meteorology (37N10)

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• CASTEP

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