Scalable fine-grained parallelization of plane-wave–based ab initio molecular dynamics for large supercomputers
Ramkumar V. Vadali, Yan Shi, Sameer Kumar, Laxmikant V. Kale, Mark E. Tuckerman, Glenn J. MartynaVolume:
25
Year:
2004
Language:
english
Pages:
17
DOI:
10.1002/jcc.20113
File:
PDF, 516 KB
english, 2004