articleComputational Materials ScienceMar 22, 2012Closed access

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

SCStefano CurtaroloWSWahyu SetyawanSWShidong WangJXJunkai XueKYKesong Yang

Oak Ridge National Laboratory · Duke University · +6 more institutions

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1,092
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12

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Topics
Keywords
  • Computer science
  • Ab initio
  • Realization (probability)
  • Metastability
  • Throughput
  • Binary number
  • Electronic structure
  • Chemistry
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