Harnessing machine learning for high-entropy alloy catalysis: a focus on adsorption energy prediction
Abstract High-entropy alloys (HEAs) have emerged as promising candidates for catalyst applications due to their inherent compositional, structural, and site-level diversities, which enable highly tunable catalytic properties. However, these complexities pose grand challenges for traditional “trial-a...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-04-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01579-5 |
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