TU1.R1: Computational Chemistry and Catalysis, Data Science, ML I
Tue, 18 Feb, 10:45 - 11:45 CT (UTC -5)
Location: Galleria I & II
Session Type: Oral
Session Co-Chairs: Milad Abolhasani, North Carolina State University and Gaurav Giri, University of Virginia
Track: Computational Chemistry and Catalysis, Data Science, and AI/ML in Reaction Engineering
Click the to view the manuscript on IEEE Xplore Open Preview
Keynote
Tue, 18 Feb, 10:45 - 11:05 CT (UTC -5)

TU1.R1.1: USING MOLECULAR MODELING AND MACHINE LEARNING TO ADDRESS STABILITY CHALLENGES FOR ZEOLITE CATALYSTS

Chris Paolucci, University of Virginia
Tue, 18 Feb, 11:05 - 11:25 CT (UTC -5)

TU1.R1.2: Application of surrogate modelling to accelerate design space exploration for catalytic reactor systems

Udit Gupta, Siemens Industry Software Inc.; Stepan Spatenka, Sreekumar Maroor, Siemens Industry Software Ltd.
Tue, 18 Feb, 11:25 - 11:45 CT (UTC -5)

TU1.R1.3: Advantages in the use of AI-based regressions for the kinetic modelling of industrial catalysts

EMANUELE MOIOLI, Politecnico di Milano; Hugo Petremand, Andrea Pappagallo, Paul Scherrer Institute