A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble

Journal of Non-Newtonian Fluid Mechanics

Volumn 152, Issue 1-3, 2008, Pages 129-139

  Keffer, David J ^a   Baig, Chunggi ^b   Adhangale, Parag ^c   Edwards, Brian J ^a  

^a University of Tennessee   (United States)

^b UNIVERSITY OF PATRAS   (Greece)

^c TULANE UNIVERSITY   (United States)

Author keywords

Canonical ensemble; Hamiltonian; Molecular dynamics; Nos Hoover thermostat; NVT

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; HAMILTONIANS; TEMPERATURE; TEMPERATURE CONTROL; THERMOSTATS;

CANONICAL ENSEMBLE; GENERALIZED HAMILTONIAN-BASED ALGORITHM; RIGOROUS EQUILIBRIUM MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; HAMILTONIANS; MOLECULAR DYNAMICS; TEMPERATURE; TEMPERATURE CONTROL; THERMOSTATS;

EID: 43649091025     PISSN: 03770257     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnnfm.2007.10.004     Document Type: Article

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