Fri, Sep 20 | Limpertsberg

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 Then, after summarizing  unpublished work in modeling studying metal-ligand binding in water, I  would like to begin to have a dialog about ways I can synergistically  interact with other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

Registration is Closed

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The work of Prof. Alexandre Tkatchenko is supported in part by the European Research Council under the European Union's Horizon 2020 research and innovation programme (grant agreement n. 725291)  and by FNR.