"MPI/OpenMP hybrid parallel algorithm for resolution of identity ..."

Michio Katouda, Takahito Nakajima (2017)

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DOI: 10.1002/JCC.24701

access: closed

type: Journal Article

metadata version: 2020-04-01

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Michio Katouda, Takahito Nakajima:
MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers. J. Comput. Chem. 38(8): 489-507 (2017)

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