Items where Author is "Ghale, Purnima"
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Ghale, Purnima and Kroonblawd, Matthew P. and Mniszewski, Sue and Negre, Christian F. A. and Pavel, Robert and Pino, Sergio and Sardeshmukh, Vivek and Shi, Guangjie and Hahn, Georg (2017) Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning. SIAM Journal on Scientific Computing, 39 (6). C466-C480. ISSN 1064-8275