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Optimality guarantees for crystal structure prediction.

Vladimir V. GusevDuncan AdamsonArgyrios DeligkasDmytro AntypovChristopher M. CollinsPiotr KrystaIgor PotapovGeorge R. DarlingMatthew S. DyerPaul G. SpirakisMatthew J. Rosseinsky
Published in: Nat. (2023)
Keyphrases
  • optimal solution
  • prediction accuracy
  • graph structure
  • data sets
  • website
  • three dimensional
  • geometric structure