Ridge-based bias potentials to accelerate molecular dynamics

Journal of Chemical Physics

Volumn 143, Issue 24, 2015, Pages

  Xiao, Penghao ^a   Duncan, Juliana ^a   Zhang, Liang ^a   Henkelman, Graeme ^a  

^a The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTIFICIAL INTELLIGENCE; LEARNING ALGORITHMS; LEARNING SYSTEMS; REACTION KINETICS;

ANALYTIC EXPRESSIONS; ENERGY INCREASE; FILLING FRACTIONS; MOLECULAR DYNAMICS SIMULATIONS; NEGATIVE CURVATURE; REACTION MECHANISM; SCALING PROBLEM; STANDARD POTENTIAL;

MOLECULAR DYNAMICS;

EID: 84952342854     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4937393     Document Type: Article

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