Prof. Jiaqi Wang | Materials Science | Excellence in Research Award

University of Hong Kong | Hong Kong

Prof. Jiaqi Wang is a Research Assistant Professor in the Department of Chemistry at The University of Hong Kong and an Associate Research Fellow at the University of Hong Kong Shenzhen Institute of Research and Innovation. His research expertise spans molecular dynamics simulation, machine learning, and computational materials science, with a strong focus on accelerating the discovery and rational design of functional materials. With over a decade of research experience, his work bridges mechanical engineering, chemistry, and artificial intelligence, contributing to both fundamental understanding and practical innovation in materials and biomolecular systems. Since 2020, Dr. Wang has been internationally recognized for pioneering data-driven approaches to the de novo design of self-assembling peptides across extremely large chemical spaces. He developed a human-in-the-loop computational framework that significantly improved the screening accuracy of hydrogel-forming peptides, addressing long-standing challenges related to data scarcity and model reliability. His subsequent work introduced Transformer-based deep learning architectures capable of exploring peptide sequence spaces exceeding ten trillion candidates, enabling unprecedented scalability in peptide discovery. More recently, he systematically decoded aggregation rules governing short peptides across complete sequence spaces, providing a robust theoretical foundation for predictive peptide self-assembly.

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