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Development of a new parameter optimization scheme for a reactive force field based on a machine learning approach.

Hiroya NakataShandan Bai
Published in: J. Comput. Chem. (2019)
Keyphrases
  • optimization scheme
  • force field
  • active contour model
  • image analysis
  • prior knowledge
  • active contours
  • deformable models
  • information theoretic