We will also do this thing connecting Toronto-Harvard, so show up! We may
even have ways of having people call in from wherever they are in the
planet.
Alan
Alán Aspuru-Guzik
Professor of Chemistry and Computer Science | Vector Institute
Canada 150 Research Chair in Quantum Chemistry | CIFAR Senior Fellow
University of Toronto | 80 St George St | Toronto, ON M5S 3H6, Canada
http://matter.toronto.edu Twitter @A_Aspuru_Guzik aspuru(a)utoronto.ca
On Wed, Jul 11, 2018 at 1:50 PM, Ian Kivlichan <ian.kivlichan(a)gmail.com>
wrote:
Hi all,
Tomorrow Luis-Martin will speak at group meeting. See below for his title
and abstract.
All the best,
Ian
-----------------
Title: Applying Gaussian Processes to one electron potential prediction &
some conventional DFT calculations
Abstract: I'll talk about the two projects I’m currently developing in the
group, from how to make a database for screening molecules to applying
gaussian processes to this data base targeting the one electron potential
couples that could be potentially synthesized. Also I’m performing DFT
geometry optimizations of carbon structures to calculate the adsorption
energies of five quinones provided by Aziz & Gordon groups.
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