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A generalized crystal-cutting method for modeling arbitrarily oriented crystals in 3D periodic simulation cells with applications to crystal-crystal interfaces.

Matthew P. KroonblawdNithin MathewShan JiangThomas D. Sewell
Published in: Comput. Phys. Commun. (2016)
Keyphrases
  • cost function
  • arbitrarily oriented
  • objective function
  • clustering method
  • data mining
  • evolutionary algorithm
  • active learning
  • multi objective