Dataset Open Access

Supplementary Information for Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

Szilárd Páll


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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.3893789", 
  "author": [
    {
      "family": "Szil\u00e1rd P\u00e1ll"
    }
  ], 
  "issued": {
    "date-parts": [
      [
        2020, 
        6, 
        14
      ]
    ]
  }, 
  "abstract": "<p>Supplementary information for<br>\nP&aacute;ll, S., Zhmurov, A., Bauer, P., Abraham, M., Lundborg, M., Gray, A., Hess, B, &amp; Lindahl, E.. (2020). Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS. The Journal of Chemical Physics, 2020</p>\n\n<p>Contains benchmark methodology description as well as all inputs used in the application performance benchmarks included the paper.</p>", 
  "title": "Supplementary Information for Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS", 
  "type": "dataset", 
  "id": "3893789"
}
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