Stable and efficient linear scaling first-principles molecular dynamics for 10000+ atoms

Journal of Chemical Theory and Computation

Volumn 10, Issue 12, 2014, Pages 5419-5425

  Arita, Michiaki ^a,b   Bowler, David R ^b,c   Miyazaki, Tsuyoshi ^a,b  

^a TOKYO UNIVERSITY OF SCIENCE   (Japan)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84916917816     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct500847y     Document Type: Article

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