Random Forest Models for Accurate Identification of Coordination Environments from X-Ray Absorption Near-Edge Structure

Analyzing coordination environments using X-ray absorption spectroscopy has broad applications in solid-state physics and material chemistry. Here, we show that random forest models trained on 190,000 K-edge X-ray absorption near-edge structure (XANES) spectra can identify the main atomic coordinati...

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Detalles Bibliográficos
Autores principales: Zheng, Chen, Chen, Chi, Chen, Yiming, Ong, Shyue Ping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7660409/
https://www.ncbi.nlm.nih.gov/pubmed/33205091
http://dx.doi.org/10.1016/j.patter.2020.100013

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7660409/
https://www.ncbi.nlm.nih.gov/pubmed/33205091
http://dx.doi.org/10.1016/j.patter.2020.100013

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