Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential

Physical Review Letters

Volumn 100, Issue 18, 2008, Pages

  Behler, Jörg ^a,b   Martoňák, Roman ^a,c   Donadio, Davide ^a,d   Parrinello, Michele ^a  

^a ETH ZURICH   (Switzerland)

^b RUHR UNIVERSITY BOCHUM   (Germany)

^c Faculty of Natural Sciences   (Slovakia)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; HIGH PRESSURE EFFECTS; NEURAL NETWORKS; POTENTIAL ENERGY SURFACES;

INORGANIC SOLIDS; METADYNAMICS SIMULATIONS;

SILICON COMPOUNDS;

EID: 43249123138     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.100.185501     Document Type: Article

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