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A Comparison of the Performance of the Molecular Dynamics Simulation Package GROMACS Implemented in the SYCL and CUDA Programming Models.

L. ApanasevichYogesh KaleHimanshu SharmaAna Marija Sokovic
Published in: CoRR (2024)
Keyphrases
  • molecular dynamics
  • mathematical models
  • data processing
  • molecular dynamics simulations
  • fluid flow