NVU dynamics. III. Simulating molecules at constant potential energy

Journal of Chemical Physics

Volumn 137, Issue 24, 2012, Pages

  Ingebrigtsen, Trond S ^a   Dyre, Jeppe C ^a  

^a ROSKILDE UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SYSTEM; CONSTANT POTENTIAL; DUMBBELL MODEL; ENERGY-CONSERVING; MOLECULAR SYSTEMS; NEWTONIANS; NUMERICAL ALGORITHMS; O-TERPHENYL; RIGID BONDS; SPC/E WATER; STANDARD ALGORITHMS; STEP LENGTH; SYMPLECTIC; THERMODYNAMIC LIMITS; VERLET ALGORITHMS;

ATOMS; GEODESY; MOLECULAR DYNAMICS; MOLECULES; POTENTIAL ENERGY;

ALGORITHMS;

EID: 84872029459     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4768957     Document Type: Article

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