On October 24, 2025, Professor Li Weixue, affiliated with both the School of Chemistry and Materials Science and the National Key Laboratory of Precision and Intelligent Chemistry at the University of Science and Technology of China (USTC), published a review article titled "A Data-Driven Leap Towards Stable Catalyst Design" in the News & Views section of Nature Catalysis. This article not only introduces a recent study published in the same issue but also delves into the future trajectory of the catalyst design field.

Supported metal nanocatalysts are pivotal in industrial processes, including energy conversion and environmental management. However, their tendency to deactivate at elevated temperatures poses a significant challenge. The research team, led by Professor Li, previously put forward the MSI "volcano-type" relationship principle, which elucidates the optimal range of metal-support interaction (MSI) strength. The latest study has successfully validated this theory by employing extensive molecular dynamics simulations and machine learning models. Furthermore, it has identified a Pt/BaO catalyst that exhibits exceptional high-temperature anti-sintering performance. This breakthrough not only bridges the gap between fundamental theory and practical engineering applications but also offers a novel approach to catalyst design.