Associate Professor
Research Areas: Biochemistry, Materials, Physical
Email: yihan.shao@ou.edu
Office: SLSRC 1130
Education:
B.S., 1993, Nanjing University, Nanjing, Jiangsu, China
Ph.D., 2002, University of California at Berkeley
Principal Scientist, 2002-2016, Q-Chem Inc., California
Research Keywords:
enzymatic reactions, bioluminescence, chemiluminescence, multi-scale modeling algorithms, quantum chemistry methods
Computational Chemistry: Applications, Theory and Softwares
We are interested in the following aspects of Computational Chemistry/Biology Research:
Applications. Of particular interest to us is the quantum mechanical nature of various enzymatic/catalytic reactions, energetics of solvation and binding, and excited state processes such as chemiluminesence and bioluminescence.
Theories and Softwares. We work to advance the accuracy and affordability of quantum mechanical, molecular mechanical, and multi-scale calculations for chemical and biochemical research, and we strive to improve the software accessibility and usability through contributing to CHARMMing, Q-Chem and other software packages.
