Machine learning potential assisted exploration of complex defect potential energy surfaces
Abstract Atomic-scale defects generated in materials under both equilibrium and irradiation conditions can significantly impact their physical and mechanical properties. Unraveling the energetically most favorable ground-state configurations of these defects is an important step towards the fundamen...
| Egile Nagusiak: | , , , |
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| Formatua: | Artikulua |
| Hizkuntza: | English |
| Argitaratua: |
Nature Portfolio
2024-01-01
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| Saila: | npj Computational Materials |
| Sarrera elektronikoa: | https://doi.org/10.1038/s41524-024-01207-8 |