Constant pressure Langevin dynamics: theory and application

M.I.J. Probert, D. Quigley

Research output: Contribution to journalArticlepeer-review


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 languageEnglish
Pages (from-to)322-325
Number of pages3
JournalComputer Physics Communications
Issue number1-3
Publication statusPublished - Jul 2005

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