Jiali Gao

Professor Jiali Gao is a faculty member in the Department of Chemistry at the University of Minnesota, where he holds the position of Professor. His research program focuses on developing computational methods to study complex biological systems through the integration of quantum mechanics and molecular mechanics (QM/MM) approaches.

Professor Gao's research interests span multiple interconnected areas:

• Development of novel combined QM/MM methods for studying chemical and biological reactions
• Understanding the physical origins of enzyme catalysis
• Modeling diffusion and interactions of macromolecular particles in cellular environments
• Application of computational methods to energy-related problems including photosynthesis and combustion

His recent publications demonstrate a consistent focus on advancing computational methodologies while applying them to significant biological and chemical problems. Professor Gao's work bridges theoretical development with practical applications across multiple domains including protein dynamics, spectroscopy, and reaction mechanisms. Notable contributions include the development of the CARNOT simulation package for reactive systems and significant advances in multistate density functional theory.

Professor Gao maintains an active research program with numerous publications each year in high-impact journals such as Nature Communications, Journal of Chemical Physics, and Journal of Chemical Theory and Computation. His interdisciplinary approach, connecting computational and experimental work, strengthens the impact of his research by providing molecular-level interpretations of experimental observations.