It's fascinating to be able to take a peek at chemical phenomena at the mesoscale. Thanks to novel computational models and sheer computational power we are for the first time able to do so.
Ivo Filot is a theoretical chemist. His research involves developing new computational techniques in multiscale modeling of catalytic reactions, in particular for the elucidation of the complex Fischer-Tropsch reaction mechanism, employing density functional theory and microkinetic modeling. His areas of expertise are: Theoretical chemistry: Quantum mechanics, ab-initio electronic structure calculationsComputational catalysis: Force-field modeling, molecular dynamics.Statistical Thermodynamics: Microkinetic modeling, reaction pathway analysis, ab-initio thermodynamics.Computer science: Object-oriented programming, cross-platform software development, mathematical routines www.youtube.com/watch
Ivo Filot studied Chemical Engineering and Chemistry at Eindhoven University of Technology (TU/e) where he received his Master's degree (cum laude) in 2009. He continued with PhD research under the supervision of Prof. Emiel Hensen and Prof. Rutger van Santen, which he finished in 2015 with his thesis 'Quantum Chemistry and Microkinetics of the Fischer-Tropsch Reaction'. After a short stint as postdoctoral researcher he became an assistant professor at TU/e in 2015. In 2016 Filot was a Visiting Professor at Pennsylvania State University with the Adri van Duin research group. From 2011-2016 Filot was Managing Director at the Zuidstijl company, specializing in (cloud) software maintenance and development.
The optimally performing Fischer-Tropsch catalystAngewandte Chemie - International Edition (2014)
First-principles-based microkinetics simulations of synthesis gas conversion on a stepped rhodium surfaceACS Catalysis (2015)
Mechanism of cobalt-catalyzed CO hydrogenationACS Catalysis (2017)