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Speaker: Prof. Dr. Zachary W. Ulissi Location: Join zoom meeting: https://tum-conf.zoom.us/j/95962763450 | Webinar ID: 959 6276 3450 | Passcode: 212179

Datasets, Workflows, Models and Active Learning to Accelerate Catalyst Discovery

Machine learning accelerated catalyst discovery efforts has seen much progress in the last few years. Datasets of computational calculations have improved, models to connect surface structure with electronic structure or adsorption energies have gotten more sophisticated, and active learning exploration strategies are becoming routine in discovery efforts. [more]
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