Improved transition path sampling methods for simulation of rare events

Journal of Chemical Physics

Volumn 128, Issue 14, 2008, Pages

  Chopra, Manan ^a   Malshe, Rohit ^a   Reddy, Allam S ^a   De Pablo, J J ^a  

^a University of Wisconsin Madison   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; ELECTRON TRANSITIONS; MONTE CARLO METHODS; SAMPLING;

COMPUTATIONAL CHEMISTRY; REACTIVE TRAJECTORIES; TRANSITION PATH SAMPLING (TPS); TRANSITION STATE ENSEMBLES;

FREE ENERGY;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER SIMULATION; PHASE TRANSITION; SAMPLE SIZE; STATISTICAL MODEL;

ALGORITHMS; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, STATISTICAL; PHASE TRANSITION; SAMPLE SIZE;

EID: 42149099880     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2889943     Document Type: Article

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