Accelerating flat-histogram methods for potential of mean force calculations

Journal of Chemical Physics

Volumn 131, Issue 5, 2009, Pages

  Janosi, Lorant ^a   Doxastakis, Manolis ^a  

^a UNIVERSITY OF HOUSTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALTERNATIVE APPROACH; APRIORI; ASYMMETRIC DISTRIBUTION; ASYNCHRONOUS PARALLEL; BROWNIAN DYNAMICS; COMPUTATIONAL TIME; CONVERGENCE TIME; DENSITY OF STATE; EXTREME VALUE; FLAT-HISTOGRAM METHODS; FREE ENERGY SIMULATIONS; FREE-ENERGY CALCULATIONS; GEOMETRIC CLUSTERS; HIGH DENSITY; INTRAMOLECULAR POTENTIAL; LOW DENSITY; MOLECULAR SYSTEMS; MONTE CARLO; NONIDEAL; POTENTIAL OF MEAN FORCE; REACTION COORDINATES; SAMPLING METHOD; SAMPLING RATES; SIMULATION TIME; SYSTEM SIZE; UNIFORM SAMPLING; WANG AND LANDAUS;

BROWNIAN MOVEMENT; FREE ENERGY; MONTE CARLO METHODS; SYSTEMS ENGINEERING; TUNNELING (EXCAVATION); WIND TUNNELS;

PARALLEL ALGORITHMS;

EID: 68849097975     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3183165     Document Type: Article

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