Jiali Gao

Jiali Gao
Professor, Department of ChemistryContact
Kolthoff Hall Room 241A 225 Pleasant Street SeMinneapolis, MN 55455
Education
B.S. Beijing University, 1982
Ph.D. Purdue University, 1987
Chemical Biology: protein dynamics
Chemical Physics: quantum-classical models of biology
Chemical Theory & Computation: quantum-classical models of biology
Organic Chemistry: computational chemistry
Energy & Catalysis
We develop computational methods to study systems of biological interest. In each project, we identify a question of biological or chemical significance. Then, we develop the theory and implement it in a computer program to carry out detailed simulations of the system. In particular, we combine quantum mechanics and molecular mechanics (QM/MM) to model large molecular systems, including proteins and nucleic acids. The focus of our group includes:
- development of novel combined QM/MM methods to study chemical and biological reactions;
- understanding the origin of enzyme catalysis; and
- modeling the diffusion and interactions of macromolecular particles in cellular environment.
Honors and Awards
International Academy of Quantum Molecular Science, 2016
Albert Hofmann Centennial Prize - Organic Chemistry Institute, University of Zurich, 2006
Dirac Medal of the World Association of Theoretically Oriented Chemists, 2000
Mailing Address
Jiali Gao
University of Minnesota
Department of Chemistry
B-5, 139 Smith Hall, 207 Pleasant St SE
Minneapolis, MN 55455-0431