A general-purpose machine-learning force field for bulk and nanostructured phosphorus
Atomistic simulations of phosphorus represent a challenge due to the element’s highly diverse allotropic structures. Here the authors propose a general-purpose machine-learning force field for elemental phosphorus, which can describe a broad range of relevant bulk and nanostructured allotropes.
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2020-10-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-020-19168-z |