Hybrid parallelization of molecular dynamics simulations to reduce load imbalance

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Authors: Julian Morillo, Maxime Vassaux, Peter V. Coveney, Marta Garcia-Gasulla

Journal title: The Journal of Supercomputing

Journal number: 78

Journal publisher: Kluwer Academic Publishers

Published year: 2022

Published pages: 9184-9215

DOI identifier: 10.1007/s11227-021-04214-4

ISSN: 0920-8542