Quantum chemistry on graphical processing units. 3. Analytical energy gradients, geometry optimization, and first principles molecular dynamics

Journal of Chemical Theory and Computation

Volumn 5, Issue 10, 2009, Pages 2619-2628

  Ufimtsev, Ivan S ^a   Martinez, Todd J ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 73949083571     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct9003004     Document Type: Article

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