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Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers (2004)

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by Ramkumar V. Vadali , Yan Shi , Sameer Kumar , Laxmikant V. Kale , Mark E. Tuckerman , Glenn J. Martyna
Venue:Journal of Comptational Chemistry
Citations:9 - 3 self