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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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Detalhes bibliográficos
Publicado no:Patterns (N Y)
Main Authors: Zheng, Chen, Chen, Chi, Chen, Yiming, Ong, Shyue Ping
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7660409/
https://ncbi.nlm.nih.gov/pubmed/33205091
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.patter.2020.100013
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