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Journal of Chemical Physics

Volumn 130, Issue 17, 2009, Pages

Optimizing the switching function for nonequilibrium free-energy calculations: An on-the-fly approach

(3) Lindberg, Gerrick E a Berkelbach, Timothy C b Wang, Feng a

a Boston University (United States)

b NEW YORK UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOOLEAN FUNCTIONS; SWITCHING; SWITCHING FUNCTIONS; VAN DER WAALS FORCES;

COMPUTATIONAL COSTS; EINSTEIN CRYSTAL; FREE-ENERGY DIFFERENCE; NONEQUILIBRIUM FREE ENERGY; ON-THE-FLY METHODS; SWITCHING METHODS; THERMODYNAMIC STATE; VAN DER WAALS GAS;

FREE ENERGY;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; GAS; REPRODUCIBILITY; THERMODYNAMICS; TIME;

GASES; MODELS, CHEMICAL; REPRODUCIBILITY OF RESULTS; THERMODYNAMICS; TIME FACTORS;

EID: 65549167862 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3126602 Document Type: Article

Times cited : (8)

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