Mass-scaling replica-exchange molecular dynamics optimizes computational resources with simpler algorithm

Journal of Chemical Physics

Volumn 141, Issue 11, 2014, Pages

  Nagai, Tetsuro ^a   Takahashi, Takuya ^a  

^a RITSUMEIKAN UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; COMPUTATIONAL COMPLEXITY; MOLECULAR DYNAMICS;

COMPUTATIONAL COSTS; COMPUTATIONAL RESOURCES; HIGH TEMPERATURE; LENNARD JONES FLUID; PILOT SYSTEM; REPLICA EXCHANGE; REPLICA EXCHANGE MOLECULAR DYNAMICS; SIMPLER ALGORITHMS;

NUMERICAL METHODS;

ALGORITHM; MOLECULAR DYNAMICS; THEORETICAL MODEL;

ALGORITHMS; MODELS, THEORETICAL; MOLECULAR DYNAMICS SIMULATION;

EID: 84907495526     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4895510     Document Type: Article

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