Self-adaptive enhanced sampling in the energy and trajectory spaces: Accelerated thermodynamics and kinetic calculations

Journal of Chemical Physics

Volumn 128, Issue 13, 2008, Pages

  Gao, Yi Qin ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN EQUATION; DISTRIBUTION FUNCTIONS; MOLECULAR DYNAMICS; PHASE SPACE METHODS; PHASE TRANSITIONS; REACTION KINETICS; SAMPLING;

ENERGY DISTRIBUTION; KINETICS CALCULATIONS; MOLECULAR CONFIGURATIONS; SELF ADAPTIVE COMPUTATIONAL METHODS; TRAJECTORY SPACES; TRANSITION PATHS;

COMPUTATIONAL METHODS;

EID: 41849124534     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2901037     Document Type: Article

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