Deringer, VL and Proserpio, DM and Csanyi, G and Pickard, CJ Research data supporting "Data-driven learning and prediction of inorganic crystal structures". (Unpublished)
Full text not available from this repository.Abstract
This dataset contains potential parameter files (*.xml) for the different generations of GAP-RSS interatomic potential models described in the article, as well as structural information and DFT-computed reference and testing databases.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | machine learning materials modelling random structure searching phosphorus |
| Subjects: | UNSPECIFIED |
| Divisions: | Div C > Applied Mechanics Div C > Materials Engineering |
| Depositing User: | Cron Job |
| Date Deposited: | 18 Jul 2018 20:10 |
| Last Modified: | 18 Feb 2021 18:16 |
| DOI: |
