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...

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Detalles Bibliográficos
Autores principales: Dau, Minh Tuan, Al Khalfioui, Mohamed, Michon, Adrien, Reserbat-Plantey, Antoine, Vézian, Stéphane, Boucaud, Philippe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
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

Internet

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

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