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Fri, Sep 20



TCP Seminar: Prof. John Keith

Opportunities for advanced atomistic modeling of chemical systems

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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 Then, after summarizing  unpublished work in modeling studying metal-ligand binding in water, I  would like to begin to have a dialog about ways I can synergistically  interact with other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.

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