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Constant pressure Langevin dynamics : theory and application

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Quigley, David and Probert, M. I. J. (2005) Constant pressure Langevin dynamics : theory and application. Computer Physics Communications, Vol.169 (No.1-3). pp. 322-325. doi:10.1016/j.cpc.2005.03.072

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

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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. (c) 2005 Elsevier B.V. All rights reserved.

Item Type: Journal Article
Subjects: Q Science > QA Mathematics
Q Science > QC Physics
Divisions: Faculty of Science > Physics
Library of Congress Subject Headings (LCSH): Langevin equations, Differentiable dynamical systems, Molecular dynamics, Molecular dynamics -- Computer simulation
Journal or Publication Title: Computer Physics Communications
Publisher: Elsevier Science BV
ISSN: 0010-4655
Official Date: 1 July 2005
Dates:
DateEvent
1 July 2005Published
Volume: Vol.169
Number: No.1-3
Page Range: pp. 322-325
DOI: 10.1016/j.cpc.2005.03.072
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access

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