Data from CHAMPS (02-2018)

  • David Glowacki (Creator)
  • Stephen R 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

Contact

Access Dataset

  • 1 Article (Academic Journal)

Cite this