Data from CHAMPS (02-2018)

  • David Glowacki (Creator)
  • Stephen Wiggins (Creator)
  • Barry Carpenter (Creator)
  • Dmitry Shalashilin (Creator)
  • Darryl Holm (Creator)
  • Matthaios Katsanikas (Creator)
  • Lars Bratholm (Creator)
  • Vladimir Krajnak (Creator)
  • Rafael Garcia-Meseguer (Creator)
  • Dmitry Makhov (Creator)
  • Barry Carpenter (Creator)

    Dataset

    Description

    The data in this deposit were used in the paper "Empirical Classification of Trajectory Data: An Opportunity for the Use of Machine Learning in Molecular Dynamics." Carpenter, B. K.; Ezra, G. S.; Farantos, S. C.; Kramer, Z. C.; Wiggins, S. J. Phys. Chem. B, 2017, 121, in press, doi: 10.1021/acs.jpcb.7b08707.
    Date made available14 Feb 2018
    PublisherUniversity of Bristol

    Keywords

    • CHAMPS
    • Machine Learning
    • Trajectory

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    • 1 Article (Academic Journal)

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