Published October 13, 2020
| Version v1
Dataset
Open
GAP-20 machine learning force field for phosphorus
- 1. University of Oxford
- 2. Aalto University
- 3. University of Cambridge
Description
This dataset contains the force-field parameter files and reference database described in the manuscript "A general-purpose machine-learning force field for bulk and nanostructured phosphorus" (to be published).
Files
P_GAP_20.xml
Files
(138.9 MB)
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md5:7ce60018d2b4cc3eaab837e4f70ecd16
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711.3 kB | Preview Download |
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md5:e0c8c6cb23c7ae5e0b0f97f18471beff
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405 Bytes | Download |
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md5:63f33a53a1d2d49e32b452108495e874
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119.8 MB | Download |
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md5:f8db34a48289bc2f4813dd64477aa387
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18.4 MB | Download |
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md5:d0d35f50681ead1f9563bf4057ac2c4e
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Additional details
Funding
- Accurate computational electrochemistry from density functional theory and multiscale atomistic simulations 310574
- Academy of Finland
- Support for the UKCP consortium EP/P022596/1
- UK Research and Innovation
- HPC-EUROPA3 – Transnational Access Programme for a Pan-European Network of HPC Research Infrastructures and Laboratories for scientific computing 730897
- European Commission