Density-of-states similarity descriptor for unsupervised learning from materials data

We develop a materials descriptor based on the electronic density-of-states (DOS) and investigate the similarity of materials based on it. As an application example, we study the Computational 2D Materials Database (C2DB) that hosts thousands of two-dimensional materials with their properties calcul...

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Detalles Bibliográficos
Autores principales: Kuban, Martin, Rigamonti, Santiago, Scheidgen, Markus, Draxl, Claudia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Analysis
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9587991/
https://www.ncbi.nlm.nih.gov/pubmed/36273207
http://dx.doi.org/10.1038/s41597-022-01754-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9587991/
https://www.ncbi.nlm.nih.gov/pubmed/36273207
http://dx.doi.org/10.1038/s41597-022-01754-z

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