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Publications
Proceedings
2022 Annual Meeting
Topical Conference: Applications of Data Science to Molecules and Materials
Applications of Data Science in Catalysis and Reaction Engineering
2022 Annual Meeting
Session: Applications of Data Science in Catalysis and Reaction Engineering
Chair
Bryan Goldsmith
Co-Chairs
Zachary Ulissi
, Carnegie Mellon University
Hongliang Xin
, Virginia Tech
Presentations
08:00 AM
(283a) Predicting the Performance of Mesophase Formation and Properties of Mesophase Pitch Based on Experimental Investigation and Machine Learning
Wenjia Wang, Madison Cooley, Karissa Jolley, Robert M. Kirby, Eric Eddings
08:40 AM
(283c) Bayesian Reaction Optimization of Rac-Lactide Polymerization Catalyzed By Aluminum Complexes
Yang Huang, Hongliang Xin, Rong Tong, Maverick Lin
09:00 AM
(283d) Inferring Structure-Entropy Correlations of Zeolite-Adsorbate Interactions Using Monte-Carlo Simulations & Machine Learning
Srinivas Rangarajan, Christopher Rzepa
