Small dataset machine-learning approach for efficient design | ResearchBunny

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Abstract

This study demonstrates a machine learning approach using a small database to efficiently explore the design space of ZnTe-based high-entropy alloys for water splitting. The method combines the Sure Independence Screening and Sparsifying Operator (SISSO) with an agreement method (α-method) to predict band edge positions, crucial for photocatalytic efficiency. The approach effectively identifies optimal alloy compositions for water splitting, even with limited data, and proposes design routes for tuning material properties.

Publisher

npj Computational Materials

Published On

Jul 30, 2024

Authors

Seung-Hyun Victor Oh, Su-Hyun Yoo, Woosun Jang

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