Shizhang Qiao is recognised internationally for his landmark work in developing catalysis principles and next-generation catalysts for clean energy. He pioneered the concept of computation-guided material and catalyst design to transform synthesis from a trial-and-error approach to elegant predictive design. This has re-shaped materials-development pathways for catalysis, energy conversion and energy storage. He has also spearheaded two key principles in electrocatalysis: e-refineries and local-reaction environment theory. His impact is evident in frontier catalysis science and its application in fuel cells, hydrogen production, CO2-conversion, and advanced batteries.