Data mining density of states spectra for crystal structure classification: An inverse problem approach

DOI10.1002/SAM.10026MaRDI QIDQ4969647zbMATH OpenOpenAlexFDO

Authors Scott R. Broderick, H. Aourag, Krishna Rajan

Publication date 14 October 2020

Published in Statistical Analysis and Data Mining: The ASA Data Science Journal (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1002/sam.10026

zbMATH Keywords

density of states (DOS)design mapselectronic structurefirst principles calculationsmetallic alloysprincipal component analysis (PCA)

Mathematics Subject Classification ID

Statistics (62-XX) Computer science (68-XX)

Describes a project that uses

Uses Software

• WIEN2k

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