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
Type of data
Authors
Department of Electrical Engineering and Automation
Miguel A. Caro 
University of Warwick
Bora Karasulu - Creator
George A. Marchant - Creator
Livia B. Partay - Creator
Zenodo - Publisher
Project
Other information
Fields of science
Computer and information sciences
Language
Open access
Open