Constant pressure Langevin dynamics: theory and application

M.I.J. Probert; D. Quigley

doi:10.1016/j.cpc.2005.03.072

Constant pressure Langevin dynamics: theory and application

M.I.J. Probert, D. Quigley

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

The method of constant pressure Langevin dynamics is reviewed. The particular utility of the method for ab-initio simulation is discussed. Example results for both semi-empirical and ab-initio systems are given.

Original language	English
Pages (from-to)	322-325
Number of pages	3
Journal	Computer Physics Communications
Volume	169
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cpc.2005.03.072
Publication status	Published - Jul 2005

Access to Document

10.1016/j.cpc.2005.03.072

http://dx.doi.org/10.1016/j.cpc.2005.03.072

Cite this

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title = "Constant pressure Langevin dynamics: theory and application",

abstract = "The method of constant pressure Langevin dynamics is reviewed. The particular utility of the method for ab-initio simulation is discussed. Example results for both semi-empirical and ab-initio systems are given.",

author = "M.I.J. Probert and D. Quigley",

year = "2005",

month = jul,

doi = "10.1016/j.cpc.2005.03.072",

language = "English",

volume = "169",

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journal = "Computer Physics Communications",

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DO - 10.1016/j.cpc.2005.03.072

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EP - 325

JO - Computer Physics Communications

JF - Computer Physics Communications

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