GAP-20 machine learning force field for phosphorus

GAP-20 machine learning force field for phosphorus

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).
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Year of publication

2020

Authors

Department of Electrical Engineering and Automation

Gábor Csányi - Creator

Miguel Caro Bayo - Creator

Volker L. Deringer - Creator

University of Cambridge - Contributor

University of Oxford - Contributor

Zenodo - Publisher

Other information

Fields of science

Computer and information sciences; Chemical sciences

Open access

Open

License

Creative Commons Attribution 4.0 International (CC BY 4.0)

GAP-20 machine learning force field for phosphorus - Research.fi