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MDScale: Scalable multi-GPU bonded and short-range molecular dynamics.
Gonzalo Nicolas-Barreales
Marcos Novalbos
Miguel A. Otaduy
Alberto Sánchez
Published in:
J. Parallel Distributed Comput. (2021)
Keyphrases
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short range
molecular dynamics
long range
wireless communication
high performance computing
molecular dynamics simulations
scientific data
conditional random fields
parallel computing
higher order
data generation
data mining
pairwise