Advanced multiple time scale molecular dynamics

Journal of Chemical Physics

Volumn 131, Issue 10, 2009, Pages

  Omelyan, Igor P ^a  

^a INSTITUTE FOR CONDENSED MATTER PHYSICS   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL TRANSFORMATION; COMPUTATIONAL COSTS; DIFFERENT TIME SCALE; HIGH-ACCURACY; LENNARD JONES FLUID; MANY-PARTICLE SYSTEMS; MOLECULAR DYNAMICS SIMULATIONS; MULTIPLE TIME SCALE; NOVEL METHODS; ORDERS OF MAGNITUDE; PHASE SPACES; TIME EVOLUTION PROPAGATORS; TIME STEP; TIME STEPPING ALGORITHMS;

EQUATIONS OF MOTION; INTEGRATION; MOLECULAR DYNAMICS; PHASE SPACE METHODS;

COMPUTATIONAL EFFICIENCY;

EID: 70349298628     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3212922     Document Type: Article

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