Classification of apatite structures via topological data analysis: a framework for a ‘Materials Barcode’ representation of structure maps

Abstract This paper introduces the use of topological data analysis (TDA) as an unsupervised machine learning tool to uncover classification criteria in complex inorganic crystal chemistries. Using the apatite chemistry as a template, we track through the use of persistent homology the topological c...

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Autores principales: Scott Broderick, Ruhil Dongol, Tianmu Zhang, Krishna Rajan
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/9134fcce99cf4ca2ad1ff3ff24fd1ef6
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