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ELSI - An open infrastructure for electronic structure solvers.

Victor Wen-zhe YuCarmen CamposWilliam DawsonAlberto GarcíaVille HavuBen HourahineWilliam P. HuhnMathias JacquelinWeile JiaMurat KeçeliRaul LaasnerYingzhou LiLin LinJianfeng LuJonathan MoussaJosé E. RománÁlvaro Vázquez-MayagoitiaChao YangVolker Blum
Published in: Comput. Phys. Commun. (2020)
Keyphrases
  • structural information
  • structural properties
  • database
  • decision trees
  • data structure
  • tree structure
  • information exchange
  • real time
  • databases
  • neural network
  • search space