July 18, 2023 Dataset Open Access

Kumar, Sandeep; Tahmasbi, Hossein; Ramakrishna, Kushal; Lokamani, Mani; Nikolov, Svetoslav; Tranchida, Julien; Wood, Mitchell A.; Cangi, Attila

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{
  "keywords": [
    "Machine Learning Potential", 
    "Warm Dense Matter"
  ], 
  "distribution": [
    {
      "@type": "DataDownload", 
      "fileFormat": "xz", 
      "contentUrl": "https://rodare.hzdr.de/api/files/907a0a20-10dd-464e-a4e3-aba99357eab7/FitSNAP.tar.xz"
    }
  ], 
  "license": "", 
  "identifier": "https://doi.org/10.14278/rodare.2369", 
  "@type": "Dataset", 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-37282"
  ], 
  "name": "Training scripts and input data sets: Transferable Interatomic Potential for Aluminum from Ambient Conditions to Warm Dense Matter", 
  "description": "<p>Here, we provide FitSNAP and DAKOTA input scripts and DFT-MD training data sets used for the generation of transferable SNAP ML-IAP for aluminum.</p>", 
  "@context": "https://schema.org/", 
  "@id": "https://doi.org/10.14278/rodare.2369", 
  "url": "https://rodare.hzdr.de/record/2369", 
  "datePublished": "2023-07-18", 
  "creator": [
    {
      "@type": "Person", 
      "name": "Kumar, Sandeep", 
      "affiliation": "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), G\u00f6rlitz, Germany", 
      "@id": "https://orcid.org/0000-0002-6398-0427"
    }, 
    {
      "@type": "Person", 
      "name": "Tahmasbi, Hossein", 
      "affiliation": "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), G\u00f6rlitz, Germany", 
      "@id": "https://orcid.org/0000-0002-3072-8217"
    }, 
    {
      "@type": "Person", 
      "name": "Ramakrishna, Kushal", 
      "affiliation": "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), G\u00f6rlitz, Germany", 
      "@id": "https://orcid.org/0000-0003-4211-2484"
    }, 
    {
      "@type": "Person", 
      "name": "Lokamani, Mani", 
      "affiliation": "Center for AdHelmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden, Germany", 
      "@id": "https://orcid.org/0000-0001-8679-5905"
    }, 
    {
      "@type": "Person", 
      "name": "Nikolov, Svetoslav", 
      "affiliation": "Computational Multiscale Department, Sandia National Laboratories, 87185 Albuquerque, NM, United States"
    }, 
    {
      "@type": "Person", 
      "name": "Tranchida, Julien", 
      "affiliation": "CEA, DES, IRESNE, DEC, SESC, LM2C, F-13108 Saint-Paul-Lez-Durance, France"
    }, 
    {
      "@type": "Person", 
      "name": "Wood, Mitchell A.", 
      "affiliation": "Computational Multiscale Department, Sandia National Laboratories, 87185 Albuquerque, NM, United States"
    }, 
    {
      "@type": "Person", 
      "name": "Cangi, Attila", 
      "affiliation": "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), G\u00f6rlitz, Germany", 
      "@id": "https://orcid.org/0000-0001-9162-262X"
    }
  ]
}