Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations

Journal of Chemical Physics

Volumn 122, Issue 12, 2005, Pages

  Mastny, Ethan A ^a   De Pablo, Juan J ^a  

^a University of Wisconsin Madison   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE PHASES; DENSITY-OF-STATES (DOS); LENNARD-JONES FLUIDS; SOLID-LIQUID EQUILIBRIA;

COMPUTER SIMULATION; CRYSTALLIZATION; FREE ENERGY; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE TRANSITIONS; PRESSURE EFFECTS; THERMAL EFFECTS; THERMODYNAMICS;

PHASE EQUILIBRIA;

EID: 17444413356     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1874792     Document Type: Article

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