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Lessons Learned from Catalysis to Qubits: General Strategies to Build Accessible and Accurate First-Principles Models of Point Defects
[Image: see text] Defects and dopants play critical roles in defining the properties of a material. Achieving a mechanistic understanding of how such properties arise is challenging with current experimental methods, and computational approaches suffer from significant modeling limitations that freq...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10658620/ https://www.ncbi.nlm.nih.gov/pubmed/38024198 http://dx.doi.org/10.1021/acs.jpcc.3c06267 |