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Descriptor engineering in machine learning regression of electronic structure properties for 2D materials
We build new material descriptors to predict the band gap and the work function of 2D materials by tree-based machine-learning models. The descriptor’s construction is based on vectorizing property matrices and on empirical property function, leading to mixing features that require low-resource comp...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10070413/ https://www.ncbi.nlm.nih.gov/pubmed/37012307 http://dx.doi.org/10.1038/s41598-023-31928-7 |