From Nose-Hoover chain to Nose-Hoover network: Design of non-Hamiltonian equations of motion for molecular-dynamics with multiple thermostats

Molecular Physics

Volumn 108, Issue 10, 2010, Pages 1337-1347

  Morishita, Tetsuya ^a,b,c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c RMIT UNIVERSITY   (Australia)

Author keywords

Canonical ensemble; Molecular dynamics; Non Hamiltonian dynamics; Nose Hoover thermostat

Indexed keywords

ARBITRARY NUMBER; CANONICAL DISTRIBUTIONS; CANONICAL ENSEMBLE; DOUBLE-WELL SYSTEMS; HAMILTONIAN EQUATIONS; HIGH EFFICIENCY; NETWORK EQUATIONS; NON-HAMILTONIAN; NON-HAMILTONIAN DYNAMICS; NUMERICAL CALCULATION; PHYSICAL SYSTEMS;

ALGORITHMS; DYNAMICS; HAMILTONIANS; MOLECULAR DYNAMICS; THERMOSTATS;

EQUATIONS OF MOTION;

EID: 77953515724     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268971003689923     Document Type: Article

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