Rosenbluth-sampled nonequilibrium work method for calculation of free energies in molecular simulation

Journal of Chemical Physics

Volumn 122, Issue 20, 2005, Pages

  Wu, Di ^a   Kofke, David A ^a  

^a the State University of New York   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; ENTROPY; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; SAMPLING; TRAJECTORIES;

MOLECULAR SIMULATION; NONEQUILIBRIUM WORK (NEW); ROSENBLUTH SAMPLING;

FREE ENERGY;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER SIMULATION; ENERGY TRANSFER; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; ENERGY TRANSFER; MODELS, CHEMICAL; MODELS, MOLECULAR; THERMODYNAMICS;

EID: 34548080273     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1906209     Document Type: Article

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