Molecular simulations in the multibaric-multithermal ensembles

Computer Physics Communications

Volumn 169, Issue 1-3, 2005, Pages 317-321

  Okumura, Hisashi ^a,b   Okamoto, Yuko ^a,b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

Author keywords

Lennard Jones; Molecular dynamics simulation; Monte Carlo simulation; Multibaric multithermal ensemble

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; MONTE CARLO METHODS; PHASE TRANSITIONS; POTENTIAL ENERGY; PROBLEM SOLVING; RANDOM PROCESSES;

LENNARD-JONES; MOLECULAR DYNAMICS SIMULATION; MULTIBARIC-MULTITHERMAL ENSEMBLE; RANDOM WALKS;

MOLECULAR DYNAMICS;

EID: 21244482110     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2005.03.071     Document Type: Conference Paper

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