Computational Catalysis and Molecular Modeling
This session features the use of quantum chemistry, DFT, and machine learning to understand and predict catalytic performance. Presentations will showcase models of reaction pathways, active site identification, and catalyst design optimization. Speakers will discuss kinetic modeling, catalyst screening databases, and computational fluid dynamics (CFD) simulations. The role of AI and data science in accelerating catalyst discovery will be highlighted. Integration of theoretical insights with experimental findings will be a key focus
Related Conference of Computational Catalysis and Molecular Modeling
April 20-21, 2026
13th International Conference and Exhibition on Chromatography and Analytical Techniques
Rome, Italy
August 11-12, 2026
5th World Congress on Plasma Chemistry and Plasma Processing
Amsterdam, Netherlands
November 26-27, 2026
6th International Conference on Petrochemistry and Natural Gas
Amsterdam, Netherlands
Computational Catalysis and Molecular Modeling Conference Speakers
Recommended Sessions
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