EXTENDED ABSTRACT: This study explores "Intelligent Design: An Innovative Paradigm for Research in Catalytic Materials," aiming to enhance the development of catalytic materials through a systematic approach. Traditional catalyst development often relies on empirical methods and laboratory trials, which can be inefffcient and costly. To overcome these challenges, this research introduces the concept of "Intelligent Design," integrating modern computational techniques and artiffcial intelligence to expedite the discovery and optimization of catalytic materials. A large-scale database was created, encompassing 200,000 types of metals, semiconductors, and ceramics, meticulously documenting their physicochemical properties and crystal structures. Building on this, an integrated high-throughput computing and AI research platform was developed, featuring intelligent material agents, automated synthesis, and characterization equipment, greatly enhancing the automation and efffciency of material research. Design studies on catalytic materials proposed the innovative concept that "active electronic states near the Fermi level predominantly govern the electrocatalytic activity of catalysts," highlighting the relationship between catalyst activity and electronic states. Performance evaluations through high-throughput screening and experimental validation revealed that certain catalysts demonstrated signiffcant activity under speciffc conditions, conffrming the validity of the "Intelligent Design" approach. This research uncovers the intrinsic relationships among material composition, structure, and performance, providing insights into the behavior of different materials in catalytic reactions and offering valuable references for future research. Keywords: High-throughput computing; Intelligent design; Catalytic materials; Electronic structure.