Published October 13, 2020 | Version v1
Dataset Open

GAP-20 machine learning force field for phosphorus

Creators

  • 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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md5:e0c8c6cb23c7ae5e0b0f97f18471beff
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md5:63f33a53a1d2d49e32b452108495e874
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Additional details

Funding

Research Council of Finland
Accurate computational electrochemistry from density functional theory and multiscale atomistic simulations 310574
UK Research and Innovation
Support for the UKCP consortium EP/P022596/1
European Commission
HPC-EUROPA3 - Transnational Access Programme for a Pan-European Network of HPC Research Infrastructures and Laboratories for scientific computing 730897