标题
Accelerating VASP electronic structure calculations using graphic processing units
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 33, Issue 32, Pages 2581-2589
出版商
Wiley
发表日期
2012-08-20
DOI
10.1002/jcc.23096
参考文献
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- (2011) Stefan Maintz et al. COMPUTER PHYSICS COMMUNICATIONS
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- (2011) A. Eugene DePrince et al. Journal of Chemical Theory and Computation
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- (2011) Nathan Luehr et al. Journal of Chemical Theory and Computation
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- (2011) Yutaka Uejima et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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- (2011) Karl A. Wilkinson et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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