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    Rapid Design of Efficient Mn3O4‐Based Photocatalysts by Machine Learning and Density Functional Theory Calculations by Haoxin Mai, Xuying Li, Tu C. Le, Salvy P. Russo, David A. Winkler, Dehong Chen, Rachel A. Caruso

    Published 2025-07-01
    “…This study not only provided promising photocatalysts for practical pollutant degradation but highlighted the potential of computational and ML‐guided approaches to accelerate photocatalyst discovery. These computational methods provide a framework for the rational design of advanced materials for environmental remediation applications.…”
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