Professor Gang LIU

Gang Liu is an Assistant Professor in the Department of Data Science. He is also affiliated with the Hong Kong Institute of AI for Science at the City University of Hong Kong. He received his PhD degree from the University of Notre Dame in 2026. His research focuses on generative AI, large language models, and foundation models. He is also interested in applying AI/ML methods to science domains such as molecular and materials discovery. 

His work has been published in top venues such as NeurIPS, KDD, ICLR, and Cell Reports Physical Science. His research has been supported by an IBM PhD Fellowship and featured in MIT News. He is the author of two books on deep learning for polymers and the creator of Torch-Molecule. He also led the Open Polymer Challenge, which is hosted on Kaggle and NeurIPS 2025 and has attracted more than 50,000 submissions from over 100 countries.