"Task-based Parallel Computation of the Density Matrix in Quantum-based ..."

Purnima Ghale et al. (2017)

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DOI: 10.1137/16M109404X

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type: Journal Article

metadata version: 2020-07-30

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Purnima Ghale, Matthew P. Kroonblawd, Sue Mniszewski, Christian F. A. Negre, Robert Pavel, Sergio Pino, Vivek Sardeshmukh, Guangjie Shi, Georg Hahn:
Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning. SIAM J. Sci. Comput. 39(6) (2017)

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