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Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS.
Szilárd Páll
Artem A. Zhmurov
Paul Bauer
Mark James Abraham
Magnus Lundborg
Alan Gray
Berk Hess
Erik Lindahl
Published in:
CoRR (2020)
Keyphrases
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molecular dynamics simulations
molecular dynamics
parallel processing
distributed systems
database systems
data collection
parallel algorithm