Quan Manh Phung

Principal Investigator, Associate Professor

Metalloenzyme, biomimetic chemistry, C-H activation, spin state energetics, computational quantum chemistry
Our research focuses on understanding the electronic structure and reaction mechanism of metalloenzymes, which are capable of selectively catalyzing a large number of chemical reactions under physiological conditions, as well as countless biomimetic systems with high catalytic activities. To this end, we employ a wide variety of techniques, ranging from low-cost density functional theory to novel, highly accurate ab initio methods. Our goal is not only to find general patterns in transition metal chemistry but also to make predictions and guide new experiments for new chemical systems with high catalytic activity and selectivity.