Accurate description of phase transitions in flexible materials using transferable machine learning potentials
Master of Science in Engineering Physics
2022
UGain (building 60, Magnel), Technologiepark, Zwijnaarde
Prof. Dr. ir. Veronique Van Speybroeck
A Fundamental Understanding of Alkene Adsorption and Cracking in Acid Zeolite Catalysts through Advanced Molecular Simulations
Wed, 29/01/2020
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Supervisors
Prof. Dr. ir. Veronique Van SpeybroeckUnraveling an unexpected formation of a trichlooramide using the Staudinger synthesis
Master of Science in Bioscience Engineering: Chemistry and Bioprocess Technology
2020
Supervisors
Prof. Dr. ir. Veronique Van Speybroeck, M. D'HoogheFrom a dense to a sponge-like structure at high pressures: unravelling the counter-intuitive behaviour of zinc cyanide
Benchmarking systematic methods to identify appropriate collective variables in flexible metal-organic frameworks
Stability of carbenium ions in a complex zeolitic environment
Master of Science in Chemical Engineering
2019
Influence of topology, nature of the active site and operating conditions on the formation and growth of aromatics in zeolites
Master of Science in Chemical Engineering
2019
Predicting alkene cracking kinetics in zeolite catalysts with advanced molecular dynamics techniques
Operando First Principle Simulations of Important Chemical Transformations over Zeolites within the Methanol-to-Olefin Process
Wed, 18/12/2019
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Supervisors
Prof. Dr. ir. Veronique Van SpeybroeckTowards a Molecular Level Understanding of Active Sites for Catalysis and the Interactions with Solvents in Zirconium Based Metal-Organic Frameworks at Operating Conditions
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