Probabilistic phase labeling and lattice refinement for autonomous materials research
Abstract X-ray diffraction (XRD) is a powerful method for determining a material’s crystal structure in high-throughput experimentation, and is widely being incorporated in artificially intelligent agents for autonomous scientific discovery. However, rapid, automated, and reliable analysis of XRD da...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-05-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01627-0 |
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