Hi all,
Pascal will speak at the group meeting tomorrow. His title and abstract can be found
below. We will meet in SS571 at 2:30pm. If you'd like to connect to the call via
Skype, please let me know.
Thanks,
Riley
Title: Machine learning of reaction barriers, genetic algorithms and chemical intuition
Abstract: This talk will give an overview of our (Gabe, Akshat, me and others) recent work
on the prediction of activation energies of chemical reactions, the design of phosphine
ligands, genetic algorithms based on our recently developed SELFIES representation of
molecules and a combination of all to extract chemical intuition and design rules from
machine learning approaches.
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