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2021 Annual Meeting

Session: New Developments in Computational Catalysis III: Structure-Property Relationships

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Pricing

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

Chair

Co-Chair

Florian Goeltl, The University of Arizona

Presentations

03:30 PM

(387a) A Combined Graph Theory and Machine Learning Based Method for Estimating Complex Adsorbate Configurations on Model Catalytic Surfaces

Siddharth Deshpande, Jeffrey Greeley, Pushkar Ghanekar

03:50 PM

(387b) Machine Learning for the Study of Complex Surface Chemistries

Wenqiang Yang, Andreas Heyden

04:10 PM

(387c) Simultaneous Screening of Alloy Surfaces for Catalytic Performance and Stability in Reaction Conditions

Gloria Sulley, Matthew Montemore

04:30 PM

(387f) Designing Coke-Resistant Dehydrogenation Catalysts with DFT and Grand Canonical Monte Carlo Simulations

Peng Wang, Thomas Senftle