AP Distinguished Seminar - Data- and Knowledge-Driven, Intelligent Design of MOFs
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Date
13 Nov 2025
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Organiser
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Time
10:30 - 11:30
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Venue
HJ305, 3/F, Wing HJ, PolyU Map
Speaker
Prof. WANG Ge
Summary
Metal-Organic Frameworks (MOFs) are highly designable materials with diverse compositions and tunable structures, exhibiting tremendous application potential in areas such as small molecule gas storage and catalytic conversion. In recent years, artificial intelligence (AI) tools—such as machine learning (ML) and large language models (LLMs)—have provided innovative solutions for expanding the predictive space of MOFs and improving development efficiency. This presentation focuses on MOF materials for hydrogen storage and catalytic hydrogenation, introducing a framework that integrates LLMs and ML to enable functional customization of MOFs. It outlines strategies for function-oriented reverse structural design and intelligent synthesis planning of MOF-based materials and analyzes the high-performance hydrogen storage and catalytic materials developed through this approach. The data- and knowledge-driven intelligent customization of MOFs offers a reference pathway toward more rational and efficient research paradigms in MOF material development.
Keynote Speaker
Prof. WANG Ge
Professor
School of Materials Science and Engineering
University of Science and Technology Beijing
Prof. WANG Ge received her Ph.D. in Chemistry from Michigan Technological University in 2002. She is currently a professor at the School of Materials Science and Engineering, University of Science and Technology Beijing. She is a distinguished professor under the Changjiang Scholars Program, a recipient of the National Thousand Talents Program, and has been honored as an “Outstanding Contribution Young and Middle-Aged Expert”. Her research focuses on the design, synthesis, and performance tuning of Metal-Organic Frameworks (MOFs). She pioneered a strategy for constructing multifunctional building blocks via isomorphic coupling and established data- and knowledge-driven approaches for the rational design and intelligent synthesis of MOFs. Her work has led to the development of high-performance MOFs for catalytic hydrogenation and thermal energy storage and conversion. Prof. WANG has published over 200 papers in leading journals including Chemical Reviews, Angewandte Chemie International Edition, Energy & Environmental Science, Nature Communications, andChemical Reviews, Angewandte Chemie International Edition, Energy & Environmental Science, Nature Communications, . She has also served as co-chair for numerous international conferences on functional materials. As a project leader, she has led major national research initiatives, including key R&D projects and National Natural Science Foundation grants. Her contributions have been recognized with the Second Prize of the Beijing Science and Technology Star Award and the First Prize of the Higher Education Scientific Research Outstanding Achievement Award.
