Equilibrium free energies from path sampling of nonequilibrium trajectories

Journal of Chemical Physics

Volumn 118, Issue 13, 2003, Pages 5769-5775

  Sun, Sean X ^a  

^a the United States of America   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CALCULATIONS; ESTIMATION; HAMILTONIANS; MONTE CARLO METHODS; PHASE EQUILIBRIA; PHASE SPACE METHODS; THERMODYNAMICS;

EQUILIBRIUM FREE ENERGIES; JARZYNSKI RELATION; THERMODYNAMIC INTEGRATION METHOD; VERLET INTEGRATION ALGORITHM;

FREE ENERGY;

EID: 0037398346     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1555845     Document Type: Article

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