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Proceedings
2021 Annual Meeting
Topical Conference: Applications of Data Science to Molecules and Materials
Applications of Data Science in Catalysis and Reaction Engineering II
2021 Annual Meeting
Session: Applications of Data Science in Catalysis and Reaction Engineering II
Chair
Zachary Ulissi
, Carnegie Mellon University
Co-Chairs
Thomas Senftle
Bryan Goldsmith
Presentations
12:30 PM
(290a) Building Catalytic Descriptors with Iterative Bayesian Additive Regression Trees (iBART)
Chun-Yen Liu, Shengbin Ye, Meng Li, Thomas Senftle
12:45 PM
(290b) Unsupervised Machine Learning to Extract the Electronic and Chemical Properties of Alloy and Metal Oxide Surfaces
Jacques Esterhuizen, Bryan Goldsmith, Suljo Linic
