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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2020
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Materias: | |
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 |