articleComputational Materials ScienceSep 23, 2013GREEN OA

Pseudopotentials for high-throughput DFT calculations

KFKevin F. GarrityJWJoseph W. BennettKMKarin M. RabeDVDavid Vanderbilt

Rutgers, The State University of New Jersey

Indexed inarxivcrossref

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1,587
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19.89
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100%
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Authors

4

Topics & keywords

Topics
Keywords
  • Pseudopotential
  • Density functional theory
  • Benchmark (surveying)
  • Throughput
  • Materials science
  • Computer science
  • Computational chemistry
  • Chemistry
UN Sustainable Development Goals
  • Industry, innovation and infrastructure
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