Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method

Journal of Chemical Physics

Volumn 138, Issue 10, 2013, Pages

  Lu, Qing ^a   Kim, Jaegil ^b,c   Straub, John E ^b  

^a Boston University   (United States)

^b USA   (United States)

^c BROAD INSTITUTE OF MIT AND HARVARD   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUOUS PHASE TRANSITIONS; CONTROLLING MECHANISM; FIRST-ORDER PHASE TRANSITIONS; ISOBARIC-ISOTHERMAL ENSEMBLE; REPLICA EXCHANGE METHOD; SECOND-ORDER PHASE TRANSITION; STATISTICAL TEMPERATURE; VAPOR-LIQUID TRANSITIONS;

ENTHALPY; METASTABLE PHASES; PHASE DIAGRAMS; PRESSURE; TEMPERATURE DISTRIBUTION; VAPORS;

LIQUIDS;

ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; PHASE TRANSITION; PRESSURE; TEMPERATURE; THERMODYNAMICS; VOLATILIZATION;

COMPUTER SIMULATION; MODELS, CHEMICAL; PHASE TRANSITION; PRESSURE; TEMPERATURE; THERMODYNAMICS; VOLATILIZATION;

EID: 84875127323     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4794786     Document Type: Article

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