Research output per year
Research output per year
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.
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 available | 20 Dec 2022 |
|---|---|
| Publisher | Zenodo |
Dataset Licences
- CC-BY-4.0
Research output
- 1 Article
-
Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials
Marchant, G. A., Caro, M. A., Karasulu, B. & Pártay, L. B., 27 Jul 2023, In: npj Computational Materials. 9, 1, 12 p., 131.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile32 Citations (Scopus)95 Downloads (Pure)
Projects
- 1 Finished
-
NEXTCELL: Next generation interatomic potentials to simulate new cellulose based materials
Caro, M. (Principal investigator)
01/09/2020 → 31/08/2025
Project: RCF Academy Research Fellow (new)
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