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Purnima Ghale

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2018
[j2]
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  - journals/cphysics/GhaleJ18
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Purnima Ghale, Harley T. Johnson:
A sparse matrix-vector multiplication based algorithm for accurate density matrix computations on systems of millions of atoms. Comput. Phys. Commun. 227: 17-26 (2018)
2017
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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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