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Neural networks and kernel ridge regression for excited states dynamics of CH2NH$_2^+$: From single-state to multi-state representations and multi-property machine learning models.

Julia WestermayrFelix A. FaberAnders S. ChristensenO. Anatole von LilienfeldPhilipp Marquetand
Published in: Mach. Learn. Sci. Technol. (2020)
Keyphrases
  • neural network
  • machine learning models
  • data sets
  • hidden markov models
  • support vector machine
  • information extraction
  • kernel ridge regression