Designing reversible measure invariant algorithms with applications to molecular dynamics

Journal of Chemical Physics

Volumn 117, Issue 23, 2002, Pages 10452-10464

  Legoll, Frédéric ^a   Monneau, Régis ^b  

^a UNIVERSITÉ PARIS EST   (France)

^b EDF R AND D   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CALCULATIONS; COMPUTER SIMULATION; HAMILTONIANS; MOLECULAR STRUCTURE; ORDINARY DIFFERENTIAL EQUATIONS; STATISTICAL MECHANICS; THERMODYNAMIC PROPERTIES;

CHAIN DYNAMICS; GENERALIZED GAUSSIAN MOMENT THERMOSTATING DYNAMICS; ISOTHERMAL-ISOBARIC DYNAMICS;

MOLECULAR DYNAMICS;

EID: 0037115805     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1519842     Document Type: Article

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