Predicting crystal structures: The Parrinello-Rahman method revisited

Physical Review Letters

Volumn 90, Issue 7, 2003, Pages

  Martonak R ^a,c   Laio, A ^a,b   Parrinello, M ^a,b  

^a Centro Svizzero Di Calcolo Scientifico   (Switzerland)

^b ETH ZURICH   (Switzerland)

^c SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PHASE TRANSITIONS; PRESSURE EFFECTS; SILICON;

EQUILIBRIUM PRESSURE; METADYNAMICS; PARRINELLO-RAHMAN METHOD; SIMULATION CELL; STRUCTURAL TRANSFORMATIONS;

CRYSTAL STRUCTURE;

EID: 0037458399     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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