Molecular Modeling of Heterogeneous Catalysts Using BIOVIA Materials Studio

Prof. Simon PODKOLZIN will discuss various types of heterogeneous catalyst models, calculation methods, and their integration with experimental results. Additionally, Dr. Felix Hanke will demonstrate how catalysis can be better understood through automated reaction rate searches with BIOVIA Materials Studio.
 
The presentation will also showcase:

• The importance of performing experiments designed specifically for the validation of density functional theory (DFT) models
• The successful application of integrated experimental-computational methodologies in understanding reaction mechanisms on catalytic surfaces.
• The introduction of BIOVIA Materials Studio FlexTS, a powerful tool for simulating chemical reactions at the atomistic level, and demonstrate its practical use in understanding the individual steps of a catalytic mechanism.

Don't miss this opportunity to learn from experts in the field and gain valuable insights into molecular modeling for catalytic reactions.