A projective thermostatting dynamics technique

Multiscale Modeling and Simulation

Volumn 4, Issue 2, 2005, Pages 563-583

  Jia, Zhidong ^a   Leimkuhler, Benedict J ^b  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b UNIVERSITY OF LEICESTER   (United Kingdom)

Author keywords

Adiabatic separation; Canonical sampling; Constant temperature molecular dynamics; Hamiltonian systems; Multiple timescale simulation; Nonequilibrium dynamics; Nos Hoover; Nos Poincar ; Reversible averaging; Slow dynamics; Symplectic integrator; Thermostat; Time reversible

Indexed keywords

COMPUTER SIMULATION; HAMILTONIANS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NUMERICAL METHODS;

ADIABATIC SEPARATION; CANONICAL SAMPLING; MULTIPLE TIMESCALE SIMULATION; PROJECTIVE THERMOSTATTING DYNAMICS TECHNIQUE; REVERSIBLE AVERAGING; SYMPLECTIC INTEGRATOR;

THERMOSTATS;

EID: 33646349839     PISSN: 15403459     EISSN: 15403467     Source Type: Journal    
DOI: 10.1137/040603863     Document Type: Article

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