Open access
Jul 2026
Mechanistically Interpretable Artificial Intelligence for Designing Oxygen Electrocatalysts
Two‐Stage Material Screening (TSMS) is developed, an AI‐driven framework that integrates density functional theory (DFT) computations, an active‐learning‐guided experimental feedback loop, and mechanistic interpretation to enable rapid discovery and systematic evaluation of promising electrocatalysts.
Xueyu Hu, Yucun Zhou, Haoyu Li et al.
· Advances in Materials · 0 citations