PQI2016 Peng Liu: Computational Studies of Transition-Metal-Catalyzed Reactions

In his talk, Peng Liu (Pitt), describes the challenges of applying quantum mechanics to organic chemistry in order to explain and predict the underlying mechanisms of organic reactions.
In his studies, he applies theoretical models to investigate the mechanisms and origins of reactivity and selectivity of synthetically useful transition-metal-catalyzed reactions. He also develops new models for the analysis of catalyst-substrate interactions for the generation of quantitative, chemically meaningful, and predictive results that can be translated to the concepts of experimental organic chemistry.