Using Graph Partitioning for Scalable Distributed Quantum Molecular Dynamics

Hristo N. Djidjev, Georg Hahn, Susan M. Mniszewski, Christian F. A. Negre, Anders M. N. Niklasson. Using Graph Partitioning for Scalable Distributed Quantum Molecular Dynamics. Algorithms, 12(9):187, 2019. [doi]

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