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

DOI10.1002/sam.10026OpenAlexW3083264987MaRDI QIDQ4969647

H. Aourag, Scott R. Broderick, 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

electronic structureprincipal component analysis (PCA)metallic alloysdesign mapsdensity of states (DOS)first principles calculations

Mathematics Subject Classification ID

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

Uses Software

• WIEN2k

Cites Work

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