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Author

Chu-Qiao Hu

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Aug 2026

Interpretable ML-Driven High-Throughput Screening Reveals Orbital–Site–Spin Synergy for Cross-Field-Enhanced Multiferroic Perovskite Photocatalyst Design

Cross-field-enhanced photocatalysis couples light, electric polarization, magnetic bias, and mechanical perturbation to amplify charge separation and interfacial redox for environmental remediation and energy conversion. However, the discovery of multi-field-responsive, high-efficiency photocatalysts is hampered by s...

Yuezhu Wang, Wan-Yue Zhang, Huixin Guan et al. · 0 citations
Review Aug 2026

Explainable artificial intelligence shines a light on catalysis: methods, applications, and future directions

It is shown that explainable artificial intelligence (XAI) provides a transformative approach by connecting model predictions to interpreting chemical descriptors, structural motifs, and reaction features, and it is reshaping data-driven catalysis from opaque prediction toward mechanism-informed catalyst design.

Zixuan Geng, Di Wu, Xu Zhao et al. · 0 citations

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