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Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins.

João MoradoPaul N. MortensonJ. Willem M. NissinkJonathan W. EssexChris-Kriton Skylaris
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • force field
  • active contours
  • active contour model
  • deformable models
  • information theory
  • least squares
  • ear biometrics
  • segmentation algorithm