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Active Learning for Materials Design with Kevin Tran - TWiML Talk #238

The TWIML AI Podcast (formerly This Week in Machine Learning & Artificial Intelligence)

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Optimizing Catalysts Through DFT

This chapter explores the intricacies of constrained optimization in materials design, focusing on maximizing yield from various materials and the challenges associated with an expanding search space. It also emphasizes the role of density functional theory in modeling atomic interactions to predict catalyst performance for carbon dioxide conversion.

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