The adaptive integration method for calculating general free energy functions

Computer Physics Communications

Volumn 169, Issue 1-3, 2005, Pages 274-276

  Swendsen, Robert H ^a   Fasnacht, Marc ^a,b   Rosenberg, John M ^c  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

^c UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

Adaptive sampling; Free energy calculations; Histogram methods; Lennard Jones fluid; Monte Carlo; Radial distribution function

Indexed keywords

ADAPTIVE ALGORITHMS; COMPUTER SIMULATION; FUNCTION EVALUATION; INTEGRATION; MATHEMATICAL MODELS; MONTE CARLO METHODS; PROBABILITY DISTRIBUTIONS; THERMODYNAMICS;

ADAPTIVE SAMPLING; FREE-ENERGY CALCULATIONS; HISTOGRAM METHODS; LENNARD-JONES FLUID; RADIAL DISTRIBUTION FUNCTION;

FREE ENERGY;

EID: 21244498179     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2005.03.062     Document Type: Conference Paper

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