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Regularised atomic body-ordered permutation-invariant polynomials for the construction of interatomic potentials.

Cas van der OordGeneviève DussonGábor CsányiChristoph Ortner
Published in: Mach. Learn. Sci. Technol. (2020)
Keyphrases
  • website
  • high order
  • construction process
  • higher order
  • human body
  • affine transformation
  • database
  • data sets
  • neural network
  • pairwise
  • affine invariant
  • moment invariants
  • invariant representations