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Organized by the University of Chicago’s Eric and Wendy Schmidt AI in Science Postdoctoral Fellowship Program.

4:30pm – 5:15pm: Presentation
5:15pm – 5:30pm: Q&A
5:30pm – 6:00pm: Reception

Meeting location
William Eckhardt Research Center. Room 401
5640 S Ellis Avenue, Chicago, IL 60637
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Abstract: The field of computational chemistry has seen a surge of new developments over the last few years. AI has played a pivotal role in these developments, accelerating discovery pipelines by orders of magnitude. In this talk, I will present an overview of the Open Catalyst Project’s ( work on using AI to model and discover new catalysts to address the energy challenges posed by climate change. I will highlight some of our recent modeling, dataset, and community efforts. I will also discuss some of our more recent work on bridging the gap between computational and experimental results, with emphasis on how we as a community can come together to create the CASP( equivalent for materials discovery.

Muhammed Shuaibi is a Research Engineer at Fundamental AI Research (FAIR) at Meta working on deep learning applications for chemistry. As part of the Open Catalyst Project, He helped develop datasets, models, and frameworks to help address societal energy and environmental challenges, particularly climate change. My current focus is on electrocatalyst discovery for applications like CO2 reduction and oxygen evolution for renewable energy storage. Shuaibi spends a lot of time building out and running large scale inference campaigns that make the most of our AI advancements. More importantly, he collaborates with experimental partners to help make our AI discoveries a reality in the lab.

Prior to this, he completed his PhD in Chemical Engineering (2022) at Carnegie Mellon University (Thesis), advised by Zachary Ulissi. Prior to grad school, Shuaibi worked for the U.S. Environmental Protection Agency as an Environmental Engineer in the Air & Radiation Division. There I was involved in particulate matter emissions modeling, field inspections, and settlement negotiations. He graduated from Illinois Tech in 2017 with a Bachelor’s and Master’s of Advanced Studies in Chemical Engineering.

Campus North Parking
5505 S Ellis Ave
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