Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials

  • George A. Marchant (Creator)
  • Miguel Caro (Creator)
  • Bora Karasulu (Creator)
  • Livia B. Pártay (Creator)

Dataset

Description

This dataset contains a vertical slice of the data used to generate the results found in the publication "Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials"
It contains nested sampling input files and trajectory files for each potential studied, as well as the xml files and training data for the new potential, GAP-20U+gr.
Date made available20 Dec 2022
PublisherZenodo

Dataset Licences

  • CC-BY-4.0

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