CEGANN: Crystal Edge Graph Attention Neural Network for multiscale classification of materials environment
Abstract We introduce Crystal Edge Graph Attention Neural Network (CEGANN) workflow that uses graph attention-based architecture to learn unique feature representations and perform classification of materials across multiple scales (from atomic to mesoscale) and diverse classes ranging from metals,...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-02-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-00975-z |