Equilibrium free energy estimates based on nonequilibrium work relations and extended dynamics

Journal of Chemical Physics

Volumn 121, Issue 21, 2004, Pages 10392-10400

  Atilgan, Erdinç ^a   Sun, Sean X ^a  

^a Johns Hopkins University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EQUILIBRIUM FREE ENERGY; EXTENDED DYNAMICS; GENERALIZATION; NONEQUILIBRIUM WORK;

COMPUTER SIMULATION; HAMILTONIANS; PERTURBATION TECHNIQUES; PROBABILITY; STATISTICAL MECHANICS; THERMODYNAMICS;

FREE ENERGY;

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

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

EID: 10844282657     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1813434     Document Type: Article

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