"Hierarchical parallelization of divide-and-conquer density functional ..."

Yoshifumi Nishimura, Hiromi Nakai (2020)

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DOI: 10.1002/JCC.26217

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type: Journal Article

metadata version: 2020-08-13

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Yoshifumi Nishimura, Hiromi Nakai:
Hierarchical parallelization of divide-and-conquer density functional tight-binding molecular dynamics and metadynamics simulations. J. Comput. Chem. 41(19): 1759-1772 (2020)

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