Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials
Abstract Chemical-disordered materials have a wide range of applications whereas the determination of their structures or configurations is one of the most important and challenging problems. Traditional methods are extremely inefficient or intractable for large systems due to the notorious exponent...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-01-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-00967-z |