TU3.R4: Computational Chemistry and Catalysis, Data Science, ML II
Tue, 18 Feb, 15:50 - 16:50 CT (UTC -6)
Location: Post Oak
Session Type: Oral
Track: Computational Chemistry and Catalysis, Data Science, and AI/ML in Reaction Engineering
Click the to view the manuscript on IEEE Xplore Open Preview
Tue, 18 Feb, 15:50 - 16:10 CT (UTC -6)
TU3.R4.1: COMPUTATIONAL INSIGHTS INTO THE ADSORPTION BEHAVIOR OF H2 AND CO2 ON CU AND ZNO SURFACES FOR METHANOL SYNTHESIS
Tue, 18 Feb, 16:10 - 16:30 CT (UTC -6)
TU3.R4.2: First principles insights into effect of charge condensation on water gas shift reaction mechanism
Tue, 18 Feb, 16:30 - 16:50 CT (UTC -6)