MO1.R3.1
COMPUTATIONAL INSIGHTS INTO THE ADSORPTION BEHAVIOR OF H2 AND CO2 ON CU AND ZNO SURFACES FOR METHANOL SYNTHESIS
Haseen Siddiqui, Ojus Mohan, Indian Institute of Technology Bombay, India
Session:
MO1.R3: Computational Chemistry and Catalysis, Data Science, ML II
Track:
Computational Chemistry and Catalysis, Data Science, and AI/ML in Reaction Engineering
Location:
Room 3
Presentation Time:
Mon, 17 Feb, 10:45 - 11:05 CT (UTC -6)
Presentation
Discussion
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Session MO1.R3
MO1.R3.1: COMPUTATIONAL INSIGHTS INTO THE ADSORPTION BEHAVIOR OF H2 AND CO2 ON CU AND ZNO SURFACES FOR METHANOL SYNTHESIS
Haseen Siddiqui, Ojus Mohan, Indian Institute of Technology Bombay, India
MO1.R3.2: First principles insights into effect of charge condensation on water gas shift reaction mechanism
Venkata Rohit Punyapu, Rachel Getman, The Ohio State University, United States
MO1.R3.3: Machine Learning for Parametric Sensitivity of Chemical Reactors
Joaquin Herrero, Tobias Misicko, Yang Xiao, Louisiana Tech University, United States
Contacts