Computationele studie van de reactiviteit van 3-oxo-beta-lactamen J. De Moor Master of Science in Bioscience Engineering: Chemistry and Bioprocess Technology2016Supervisors Prof. Dr. ir. Matthias D'hooge, Prof. Dr. ir. Veronique Van Speybroeck Read more about Computationele studie van de reactiviteit van 3-oxo-beta-lactamen
Advanced Molecular Simulations of Reaction Mechanisms and Complex Reaction Environments in the Methanol to Olefins Process K. De Wispelaere Fri, 29/05/2015Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-6855146Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Advanced Molecular Simulations of Reaction Mechanisms and Complex Reaction Environments in the Methanol to Olefins Process
Development of Theoretical Tools to Accurately Determine Spectroscopic Properties Using Advanced Electronic Structure Methods A. Van Yperen-De Deyne Tue, 16/09/2014Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-5707761Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Karen Hemelsoet, Prof. Dr. Michel Waroquier Read more about Development of Theoretical Tools to Accurately Determine Spectroscopic Properties Using Advanced Electronic Structure Methods
Density Functional Theory as a tool to get more out of experimental data: case-studies for Al-Zn-O and for the interaction between Po and Pb-Bi-eutectic K. Rijpstra Fri, 29/08/2014Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-5731050Supervisors Prof. Dr. Stefaan Cottenier, Prof. Dr. ir. Veronique Van Speybroeck Read more about Density Functional Theory as a tool to get more out of experimental data: case-studies for Al-Zn-O and for the interaction between Po and Pb-Bi-eutectic
Development of accurate force fields for a Pareto screening of high-performance metal-organic frameworks J. Wieme Master of Science in Engineering Physics2015Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Stefaan Cottenier Read more about Development of accurate force fields for a Pareto screening of high-performance metal-organic frameworks
Error bar assesment for ab initio prediction of surface properties S. De Waele Master of Science in Engineering Physics2015Supervisors Prof. Dr. Stefaan Cottenier, Prof. Dr. ir. Veronique Van Speybroeck Read more about Error bar assesment for ab initio prediction of surface properties
Computationele trekproeven voor wolfraamlegeringen in kernfusiereactoren T. Beyen Master of Science in Physics and Astronomy2015Supervisors Prof. Dr. Stefaan Cottenier, Prof. Dr. ir. Veronique Van Speybroeck Read more about Computationele trekproeven voor wolfraamlegeringen in kernfusiereactoren
Ab initio Studie naar de invloed van water op de methanol conversie in H-SAPO-34 S. Bailleul Master of Science in Chemical Engineering2015Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Karen Hemelsoet Read more about Ab initio Studie naar de invloed van water op de methanol conversie in H-SAPO-34
Molecular-Level Understanding of Adsorption and Zeolite-Catalyzed Reactions in the Methanol-to-Olefins Process J. Van der Mynsbrugge Fri, 23/05/2014Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-4397992Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Molecular-Level Understanding of Adsorption and Zeolite-Catalyzed Reactions in the Methanol-to-Olefins Process
Ab Initio Screening of Suitable Tungsten Alloys as First-Wall Material in Nuclear Fusion Reactors K. Lejaeghere Wed, 21/05/2014Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-4390485Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Stefaan Cottenier Read more about Ab Initio Screening of Suitable Tungsten Alloys as First-Wall Material in Nuclear Fusion Reactors