04/18/17 - 9:45 AM to 11:00 AM
Student Seminar Series: Professor Thomas F. Miller III
Student Seminar Series
"Quantum dynamics from classical trajectories:
Path-integral methods for non-adiabatic chemical reactions"
A primary focus of our research is the development of dynamics simulation methods that reveal the mechanistic details of quantum mechanical reactions that are central to biological and molecular catalysis. The nature of this effort is three-fold: we work from the foundation of quantum statistical mechanics and semiclassical dynamics to develop path-integral methods that significantly expand the scope and reliability of condensed-phase quantum dynamics simulation; we develop quantum embedding methods that improve the description of molecular interactions in systems with subtle electronic properties; and we apply these methods to the elucidation of complex chemical systems. In the talk, we will describe new methodologies and their application to: (i) proton-coupled electron transfer reactions in inorganic complexes across multiple regimes, and (ii) long-ranged electron-transfer in metalloproteins.
After completing his undergraduate studies at Texas A&M University, he attended graduate school in the United Kingdom on a British Marshall Scholarship and received his doctorate from Oxford University in 2005. Miller then returned to the United States for a post-doctoral fellowship at UC Berkeley. He joined the faculty of the California Institute of Technology in 2008 and was promoted to full professor in 2013. While at Caltech, he has received awards that include the Sloan Research Fellowship, National Science Foundation CAREER Award, Associated Students of Caltech Teaching Award, Dreyfus Teacher-Scholar Award, and the 2015 ACS Early-Career Award in Theoretical Chemistry.
Professor Miller's research group focuses on the development of theoretical and computational methods to study chemical processes that are related to solar energy conversion, battery technologies, and cellular function.