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Professor Hao Li is a Distinguished Professor and Principal Investigator at the Advanced Institute for Materials Research (WPI-AIMR) at Tohoku University. He earned a B.S. in Chemistry from Sichuan University and a Ph.D. in Chemistry from the University of Texas at Austin, where he was also affiliated with the Oden Institute for Computational and Engineering Sciences. He completed postdoctoral research at the Catalysis Theory Center in the Department of Physics at the Technical University of Denmark.
Professor Li leads the Digital Materials Lab (DigMat) and is affiliated with the Mathematical Science Group at AIMR. His research focuses on catalysis and materials theory, data science for materials design, and computational methodology development based on artificial intelligence. Prior to his current role, he served as Associate Professor and Junior Principal Investigator at AIMR from 2022 to 2025. He has received numerous honors, including the MEXT Young Scientists’ Award in 2026, multiple recognitions as a top 2% highly cited scientist by Stanford University and Elsevier, the AIChE Best Fundamental Paper Award, and various editorial and reviewer awards. Professor Li serves as Founding Editor-in-Chief of the journal AI Agent and holds associate editor and editorial board positions with several publications, including the Journal of Materials Informatics. He maintains professional memberships such as the American Chemical Society and contributes to committee and editorial roles in the field.
Tohoku University's AIMR leads with insights on reliable databases powering AI materials discovery, published in Precision Chemistry. Explore challenges, solutions, and Japan's research edge.
Tohoku University researchers unveil AI-driven catalyst discovery in Angewandte Chemie, using MLIPs and LLMs to fast-track clean energy innovations like hydrogen production and fuel cells.
Tohoku University's WPI-AIMR unveils manganese oxide cathodes with interfacial orbital engineering, achieving zero degradation after 500 cycles. A game-changer for affordable, sustainable lithium-ion batteries.
Tohoku University's multi-agent DIVE AI workflow extracts structured data from scientific paper figures and tables, powering novel hydrogen storage materials discovery via the DigHyd database.
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