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[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of | [http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of | ||
[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics |molecular dynamics]]. | [[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics |molecular dynamics]]. | ||
[[Category: Materials | [[Category: Materials modelling and Computer simulation codes]] | ||
Revision as of 18:47, 30 October 2007
Carr-Parrinello Molecular Dynamics is a parallelized plane wave/pseudopotential implementation of density-functional theory, particularly designed for ab-initio molecular dynamics.