January 14, 2025 Dataset Open Access

Zhang, Jia; Qin, Rui; Zhu, Wenjun; Vorberger, Jan

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{
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-38699"
  ], 
  "distribution": [
    {
      "fileFormat": "tar", 
      "@type": "DataDownload", 
      "contentUrl": "https://rodare.hzdr.de/api/files/83f5570e-fc07-42d2-9e9f-cceaf6f0a50b/al_epi_wdm.tar"
    }
  ], 
  "datePublished": "2025-01-14", 
  "identifier": "https://doi.org/10.14278/rodare.3396", 
  "@type": "Dataset", 
  "keywords": [
    "Plasma", 
    "warm dense matter", 
    "relaxation", 
    "DFT", 
    "aluminum", 
    "linear response", 
    "energy transfer"
  ], 
  "@id": "https://doi.org/10.14278/rodare.3396", 
  "@context": "https://schema.org/", 
  "url": "https://rodare.hzdr.de/record/3396", 
  "creator": [
    {
      "name": "Zhang, Jia", 
      "@type": "Person", 
      "affiliation": "National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, China"
    }, 
    {
      "name": "Qin, Rui", 
      "@type": "Person", 
      "affiliation": "National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, China"
    }, 
    {
      "name": "Zhu, Wenjun", 
      "@type": "Person", 
      "affiliation": "National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, China"
    }, 
    {
      "name": "Vorberger, Jan", 
      "@id": "https://orcid.org/0000-0001-5926-9192", 
      "@type": "Person"
    }
  ], 
  "description": "<p>All input files for the DFT-MD simulations of aluminum at the densities and temperatures as in the paper. The coordinates of the snapshots from DFT-MD. The input files and essential output files for the DFPT runs to determine the electron-phonon coupling. The analysed data and all the data necessary for the figures in the manuscript.</p>", 
  "name": "Data publication: Ab initio evaluation of the electron-ion energy transfer rate in a non-equilibrium warm dense metal"
}