Coarse-grained machine learning potential for mesoscale multilayered graphene
Abstract A coarse-grained neuroevolution potential (CGNEP) for multilayered graphene based on an ab initio accuracy dataset is developed for mesoscale molecular dynamics simulations. The information loss in coarsening process is discussed and divided into intralayer part and interlayer part. The CGN...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Nature Portfolio
2025-12-01
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| Serie: | npj Computational Materials |
| Accesso online: | https://doi.org/10.1038/s41524-025-01849-2 |
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