Understanding photocatalytic activity of MOFs: a combined experimental and theoretical study K. Hendrickx Mon, 05/02/2018Museum voor de geschiedenis van de wetenschappen, Krijgslaan 281, 9000 Genthttps://biblio.ugent.be/publication/8549397Supervisors Prof. Dr. Pascal Van Der Voort, Prof. Dr. ir. Veronique Van Speybroeck Read more about Understanding photocatalytic activity of MOFs: a combined experimental and theoretical study
The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks R. Goeminne Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen Read more about The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks
Semi-analytical thermodynamic model for multicomponent adsorption in nanoporous materials W. Van den Steen Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. An Ghysels Read more about Semi-analytical thermodynamic model for multicomponent adsorption in nanoporous materials
Mechanistic study on the zeolite-catalyzed formation of aromatics with advanced molecular simulations C. Naessens Master of Science in Chemical Engineering2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Mechanistic study on the zeolite-catalyzed formation of aromatics with advanced molecular simulations
Mechanistic study on the early stages of the MTO process using advanced molecular simulations V. Kotov Master of Science in Chemical Engineering2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Mechanistic study on the early stages of the MTO process using advanced molecular simulations
Including nuclear quantum effects via path integral techniques to accurately model breathing in metal-organic frameworks L. De Bruecker Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Including nuclear quantum effects via path integral techniques to accurately model breathing in metal-organic frameworks
High-throughput screening to predict the textural and adsorption properties of covalent organic frameworks using a top-down approach J. De Vos Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about High-throughput screening to predict the textural and adsorption properties of covalent organic frameworks using a top-down approach
From data science to physical insight: systematically identifying the collective variables describing phase transformations in flexible materials K. Dedecker Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about From data science to physical insight: systematically identifying the collective variables describing phase transformations in flexible materials
Designing 2D hybrid organic-inorganic perovskites for game-changing photovoltaics T. Braeckevelt Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Kurt Lejaeghere Read more about Designing 2D hybrid organic-inorganic perovskites for game-changing photovoltaics
Constructing accurate coarse-grained force fields by variational minimization: The subtle balance between accuracy and sparseness S. Vandenhaute Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen Read more about Constructing accurate coarse-grained force fields by variational minimization: The subtle balance between accuracy and sparseness