Ab-initio Molecular Dynamics Calculations: A Parallel Implementation of the Car-Parrinello Method.
Resource URI: https://dblp.l3s.de/d2r/resource/publications/conf/pdp/FeliceMB96
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1996
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Ab-initio Molecular Dynamics Calculations: A Parallel Implementation of the Car-Parrinello Method.
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fast Fourier transforms; physics computing; parallel algorithms; ab initio calculations; wave functions; molecular dynamics method; ab-initio molecular dynamics calculations; parallel Car-Parrinello method; first principles molecular dynamics simulations; Parallel Virtual Machine; CRAY-T3D computer; Single Program Multiple Data level; electronic wavefunctions; condensed matter system; plane-wave basis; fast Fourier transforms; electronic states
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Ab-initio Molecular Dynamics Calculations: A Parallel Implementation of the Car-Parrinello Method.
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