Fri, Sep 20|
TCP Seminar: Prof. John Keith
Opportunities for advanced atomistic modeling of chemical systems
Time & Location
Sep 20, 2019, 10:00 AM
Limpertsberg, Limpertsberg, Luxembourg
About the event
Abstract: In this talk I will briefly introduce my personal background and work that I am involved with at the University of Pittsburgh. I will then introduce an overview for how computational chemistry is leveraged for studying catalytic reactions followed by how our group extends these schemes to study biomimetic reaction mechanisms. I will present examples of how solvation, in particular local solvation, plays a critical role in modeling chemical reaction mechanisms and thermochemistry data. Then, after summarizing unpublished work in modeling studying metal-ligand binding in water, I would like to begin to have a dialog about ways I can synergistically interact with other researchers in the group.