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Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo.

Christian TantardiniMiroslav IliasMatteo GiantomassiAlexander G. KvashninValeria PershinaXavier Gonze
Published in: Comput. Phys. Commun. (2024)
Keyphrases
  • objective function
  • automatically generating
  • multiscale
  • trace norm
  • data sets
  • information retrieval
  • clustering algorithm
  • learning environment
  • expert systems
  • regularization method
  • lp norm