Multiple-replica exchange with information retrieval

ChemPhysChem

Volumn 9, Issue 16, 2008, Pages 2332-2339

  Athènes, Manuel ^b   Calvo, Florent ^a  

^a UNIVERSITÉ LYON 1   (France)

^b CEA SACLAY   (France)

Author keywords

Computer chemistry; Free energy calculations; Molecular modeling; Simulation; Statistical thermodynamics

Indexed keywords

FREE ENERGY; INTELLIGENT SYSTEMS; ISING MODEL; MOLECULAR GRAPHICS; MOLECULAR MODELING; PHASE TRANSITIONS; QUANTUM THEORY; STATISTICAL MECHANICS; TEMPERING;

COMPUTER CHEMISTRY; FERROMAGNETIC ISING MODELS; FREE-ENERGY CALCULATIONS; LENNARD JONES FLUID; LENNARD-JONES CLUSTER; PARALLEL TEMPERING MONTE CARLO SIMULATIONS; SIMULATION; STATISTICAL AVERAGE;

MONTE CARLO METHODS;

EID: 55549100960     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200800427     Document Type: Article

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