Outlook: Emerging Enzyme–Material Designs for Advanced Biocatalysis

Abstract Biocatalysis lies at the heart of nature's intricate processes and the development of greener technologies. Our scientific grasp of this field has grown remarkably. Under mild conditions, enzymes were recognized as the primary biocatalysts due to their high catalytic efficiency. Enzyme‐based catalysis is a cornerstone of sustainable chemistry; however, instability and activity loss under more severe conditions remain significant obstacles to its industrial application. In recent years, notable advances in sequencing, protein engineering, and AI‐driven enzyme discovery have transformed catalyst design approaches; however, these approaches still overlook the importance of immobilization. A crucial strategy is needed to enhance stability, reusability, and control. Materials designed toward solid supports, such as MOFs, COFs, HOFs, nanoparticles, and molecular cages, provide tunable environments that can reshape and enhance enzyme performance. However, the questions about the mechanistic impacts are still poorly understood and remain open. Computational chemistry and machine learning now offer the tools to predict enzyme–material interactions, quantify immobilization effects, and guide rational support selection. This perspective advocates for a closed‐loop framework that integrates enzyme engineering with material co‐design to create immobilization‐optimized catalyst pathways. Embedding such approaches will enable the development of robust, predictive, and scalable biocatalysts for advancing sustainable chemical manufacturing.