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Band gap predictions of double perovskite oxides using machine learning

Chemistry

Band gap predictions of double perovskite oxides using machine learning

A. Talapatra, B. P. Uberuaga, et al.

This research, conducted by Anjana Talapatra, Blas Pedro Uberuaga, Christopher Richard Stanek, and Ghanshyam Pilania, explores a hierarchical machine learning approach to predict the band gap of double perovskite oxides, screening a chemical space of 5.2 million compositions and identifying 310 promising candidates for experimental investigation.

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