Published March 14, 2022
| Version v1
Dataset
Open
Research data for "A machine-learned interatomic potential for silica and its relation to empirical models"
Authors/Creators
- 1. TU Darmstadt
- 2. University of Oxford
Description
This dataset supports the paper "A machine-learned interatomic potential for silica and its relation to empirical models". The paper is online here:
The following files are provided:
- xyz-file containing all structures in the training database including forces and energies
- GAP file containing the corresponding parameters, which can be used for example for Lammps MD simulations
- Amorphous structure files for silica created by different interatomic potentials.