Hi all, 

Jonny will speak at tomorrow's group meeting. His title and abstract can be found below. The Toronto side will meet in SS571 at 2:30pm. If you would like to join the meeting via Skype, please send me your information. 

Best, 

Riley 

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Title: Autonomous Benchmarking for Quantum Chemistry

Abstract: I will introduce you to the current collaborative work between the Aspuru-Guzik group (Riley, Théo, me) and the Head-Gordon group (Christopher Stein). The objective of our team project is to create a framework that allows routine benchmarking of quantum chemical models for large-scale computational studies. Without proper benchmarking, we have no control over the predictive accuracy of quantum chemical models used to (e.g.) produce labels for supervised learning problems. Our objective is to establish a good practice for data generation in virtual high-throughput applications such as molecular discovery.