Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines
نویسندگان
چکیده
Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines Weile Jia1 , Jiyun Fu1, Zongyan Cao1, Long Wang1, Xuebin Chi1 ,Weiguo Gao2, Lin-Wang, Wang3 1. Supercomputing Center , Chinese Computer Network Information Center, Chinese Academy of Science 2. School of Mathematical Sciences, Fudan University 3. Material Science Division, Lawrence Berkeley National Laboratory
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عنوان ژورنال:
- J. Comput. Physics
دوره 251 شماره
صفحات -
تاریخ انتشار 2013