Invited Speaker: Assoc.Prof.Supareak Praserthdam
Speaking Topics: "High-Throughput Heterogeneous Catalyst Screening by Quantum Chemistry and Machine Learning"
Curriculum Vitae:
Dr. Supareak’s works in the High-performance Computing Unit (CECC-HCU) focuses on the use of Density Functional Theory-based analysis, Microkinetic Modelling, Computational Fluid Dynamics (CFD), and Chemical Process Simulations for the screening of reactive and stable catalysts. We applied our own theory, “the ratings concept” for such a screening process, where the techniques can be applied to processes in chemical engineering involving reactors for the on-line optimization of the catalyst during operation. In addition, our team works hand in hand with the experimental team from the Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Department of Chemical Engineering, Chulalongkorn University to provide insight on what happened on the catalyst surface and propose the guideline towards the design of reactive and stable catalysts in a bottom-up fashion.