Determination of free energy profiles by repository based adaptive umbrella sampling: Bridging nonequilibrium and quasiequilibrium simulations

Journal of Chemical Physics

Volumn 128, Issue 20, 2008, Pages

  Zheng, Han ^a   Zhang, Yingkai ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR MECHANICS; PHASE EQUILIBRIA;

ADAPTIVE UMBRELLA SAMPLING; FREE ENERGY PROFILES; QUASIEQUILIBRIUM SIMULATIONS;

MOLECULAR DYNAMICS;

SODIUM CHLORIDE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; THERMODYNAMICS;

COMPUTER SIMULATION; MODELS, CHEMICAL; QUANTUM THEORY; SODIUM CHLORIDE; THERMODYNAMICS; WATER;

EID: 44649157295     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2920476     Document Type: Article

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