"Scalable fine-grained parallelization of plane-wave-based ab initio ..."

Ramkumar V. Vadali et al. (2004)

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DOI: 10.1002/JCC.20113

access: closed

type: Journal Article

metadata version: 2022-03-16

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Ramkumar V. Vadali, Yan Shi, Sameer Kumar, Laxmikant V. Kalé, Mark E. Tuckerman, Glenn J. Martyna:
Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers. J. Comput. Chem. 25(16): 2006-2022 (2004)

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