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Automated quantum conductance calculations using maximally-localised Wannier functions.

Matthew ShelleyNicolas PoilvertArash A. MostofiNicola Marzari
Published in: Comput. Phys. Commun. (2011)
Keyphrases
  • semi automated
  • fully automated
  • data sets
  • data mining
  • genetic algorithm
  • feature selection
  • decision making
  • e learning
  • data structure
  • support vector
  • digital libraries
  • data driven
  • basis functions
  • computer aided