Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials
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.
Show moreYear of publication
2022
Authors
University of Warwick - Contributor
Zenodo - Publisher
Other information
Fields of science
Computer and information sciences
Open access
Open
License
Creative Commons Attribution 4.0 International (CC BY 4.0)