Transferable machine learning model for multi-target nanoscale simulations in hydrogen-carbon system from crystal to amorphous
Abstract Carbon materials especially with hydrogenation have attracted wide attention for their novel physical and chemical properties and broad application prospects. A systematic theoretical simulation method accurately describing atomic interactions for hydrogen-carbon systems is crucial for the...
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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/s41524-025-01629-y |
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