New Developments in Computational Catalysis II: Data-Driven Methods | AIChE

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New Developments in Computational Catalysis II: Data-Driven Methods

Chair(s)

Hensley, A., University of Toronto

Co-chair(s)

Gorugantu, S., Northwestern University

Presentations

12:30 PM
(696a) Predicting Metal Dynamics, Surface, and Segregation Energies in High Entropy Alloys for Sintering and Catalyst Durability
12:50 PM
(696b) Identification of Active Site for Ethane Dehydrogenation on Platinum Catalysts Using Bayesian Analysis: Correction of DFT-Derived Enthalpy and Entropy
1:10 PM
(696c) A Probabilistic Microkinetic Modeling Framework for Capturing Spatial Correlations in Complex Catalytic Surface Reactions
1:30 PM
(696d) Design of Active Sites in Bimetallic NO Decomposition Catalysis
1:50 PM
(696e) Accelerated Phase Diagrams for Metal Carbide Catalysts Under Reaction Conditions Using a Graph-Based Approach
2:10 PM
Break
2:30 PM
(696g) Machine Learning Approach for Screening Alloy Surfaces for Stability in Catalytic Reaction Conditions

Topics 

Catalysis

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Individuals

AIChE Pro Members $150.00
AIChE Emeritus Members $105.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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