Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials
Beskrivning
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.
Visa merPubliceringsår
2022
Typ av data
Upphovspersoner
Department of Electrical Engineering and Automation
Bora Karasulu - Upphovsperson
George A. Marchant - Upphovsperson
Livia B. Partay - Upphovsperson
Miguel A. Caro 
University of Warwick - Medarbetare
Zenodo - Utgivare
Projekt
Övriga uppgifter
Vetenskapsområden
Data- och informationsvetenskap
Språk
Öppen tillgång
Öppet