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

Szilárd Páll


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{
  "description": "<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>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "PDC, KTH", 
      "@id": "https://orcid.org/0000-0003-0603-5514", 
      "@type": "Person", 
      "name": "Szil\u00e1rd P\u00e1ll"
    }
  ], 
  "url": "https://zenodo.org/record/3893789", 
  "datePublished": "2020-06-14", 
  "keywords": [
    "GROMACS", 
    "molecular dynamics", 
    "benchmarks"
  ], 
  "@context": "https://schema.org/", 
  "distribution": [
    {
      "contentUrl": "https://zenodo.org/api/files/5889149e-9084-4c51-a298-54ea53b279b8/GROMACS_heterogeneous_parallelization_benchmark_info_and_systems_JCP.tar.gz", 
      "encodingFormat": "gz", 
      "@type": "DataDownload"
    }
  ], 
  "identifier": "https://doi.org/10.5281/zenodo.3893789", 
  "@id": "https://doi.org/10.5281/zenodo.3893789", 
  "@type": "Dataset", 
  "name": "Supplementary Information for Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS"
}
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