Jiale Shi, Ph.D.
Assistant Professor
Education
- 2022 Ph.D. Chemical Engineering, University of Notre Dame
- 2017 B.S. Chemistry, Peking University
Research Interests
The Shi Group is a research group developing physics-informed AI methods, including generative models, language models, AI for science foundation models, and graph learning, to understand, design, and engineer complex polymers, soft materials, macromolecules, biomacromolecular systems, and molecular interfaces. We are particularly interested in developing physics-informed AI models into applications of polymers and biomacromolecules in healthcare, sustainability, energy, manufacturing, and semiconductors.
Specifically, we are currently investigating: (1) developing conditional generative model for complex polymer design, (2) developing environment-aware AI models to improve property and response prediction for complex polymers, (3) developing AI models to accelerate and interpret complex polymer simulation, (4) developing AI models to predict protein/RNA allosteric regulation and ensemble dynamics.