Lowering the Exponential Wall: Accelerating High-Entropy Alloy Catalysts Screening using Local Surface Energy Descriptors from Neural Network Potentials
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arXiv
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| Main Authors: | Shiota, Tomoya, Ishihara, Kenji, Mizukami, Wataru |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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