Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces

Physical Review Letters

Volumn 114, Issue 9, 2015, Pages

  Li, Zhenwei ^a   Kermode, James R ^a,b   De Vita, Alessandro ^a,c  

^a KING'S COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF WARWICK   (United Kingdom)

^c UNIVERSITY OF TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ARTIFICIAL INTELLIGENCE; BAYESIAN NETWORKS; CALCULATIONS; INFERENCE ENGINES; LEARNING SYSTEMS; QUANTUM THEORY;

BAYESIAN INFERENCE; CHEMICAL PROCESS; FIRST PRINCIPLES; MOLTEN SILICON; ON THE FLIES; QUANTUM MECHANICAL; QUANTUM MECHANICAL FORCE;

MOLECULAR DYNAMICS;

EID: 84924365603     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.114.096405     Document Type: Article

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