The number-adaptive multiscale QM/MM molecular dynamics simulation: Application to liquid water

Chemical Physics Letters

Volumn 524, Issue , 2012, Pages 56-61

  Takenaka, Norio ^a,b   Kitamura, Yukichi ^a   Koyano, Yoshiyuki ^a,b   Nagaoka, Masataka ^a,b  

^a NAGOYA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION TIME; LIQUID WATER; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALES; PURE WATER; QM/MM MD; SOLVENT MOLECULES;

SOLVENTS;

MOLECULAR DYNAMICS;

EID: 84856099238     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.12.053     Document Type: Article

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