Researcher
Veronique Van Speybroeck
- Disciplines:Process engineering not elsewhere classified, Catalysis, Electronic (transport) properties
Affiliations
- Department of Applied physics (Department)
Member
From1 Oct 2007 → Today - Department of Physics and astronomy (Department)
Member
From1 Oct 1997 → Today
Projects
1 - 10 of 32
- Reaction Mechanism of Methanol Conversion in Zeolite by Integrated Diffusion/Reaction Kinetics ModelFrom1 Jan 2024 → TodayFunding: HORIZON.1.2 - Marie Skłodowska-Curie-actions (MSCA)
- A combined molecular dynamics – experimental investigation of oxidic slag structure and its propertiesFrom1 Nov 2023 → TodayFunding: FWO senior postdoctoral fellowship
- DEFMOD: DEFect-engineering and machine learning MODeling of UiO-66 and its catalytic properties.From1 Jan 2023 → TodayFunding: FWO research project (including WEAVE projects)
- Bridging the gap between density functional theory and quantum tensor networks to accurately model strongly correlated nanostructured materialsFrom1 Jan 2023 → TodayFunding: BOF - projects
- Reaching quantum accuracy at the mesoscale in spatially disordered metal-organic frameworks by developing transferable interaction potentials based on active machine learningFrom1 Nov 2022 → TodayFunding: FWO fellowships
- Porous Networks for Gas SensingFrom1 Sep 2022 → TodayFunding: HORIZON.1.2 - Marie Skłodowska-Curie-actions (MSCA)
- 3D strain fields for functional 4D material design: A unifying computational protocol to tune the phase stability of strain-engineered nanostructured materialsFrom1 Oct 2021 → 31 Aug 2023Funding: FWO senior postdoctoral fellowship
- Exploring strategies to tune the selectivity of the CO2-to-chemicals conversion on zeolite catalysts by molecular simulationsFrom1 Oct 2021 → TodayFunding: FWO junior postdoctoral fellowship
- ARCLATH II - Moonshot: Artificial clathrates for safe storage, transport and delivery of hydrogen IIFrom1 Jul 2021 → 31 Dec 2023Funding: VLAIO - Catalisti - cSBO
- Moonrise: Hybrid membrane/sorption technology for more efficient C2 and C3 separationsFrom1 Jan 2021 → TodayFunding: Flanders Industry Innovation Moonshot Strategic Basic Research for clusters (cSBO)
Publications
41 - 50 of 126
- Modeling the structural and thermal properties of loaded metal–organic frameworks : an interplay of quantum and anharmonic fluctuations(2019)
Authors: Venkat Kapil, Jelle Wieme, Steven Vandenbrande, Aran Lamaire, Veronique Van Speybroeck, Michele Ceriotti
Pages: 3237 - 3249 - Optical properties of isolated and covalent organic framework-embedded ruthenium complexes(2019)
Authors: Francesco Muniz Miranda, Liesbeth De Bruecker, Arthur De Vos, Flore Vanden Bussche, Christian Stevens, Pascal Van Der Voort, Kurt Lejaeghere, Veronique Van Speybroeck
Pages: 6854 - 6867 - Dynamic interplay between defective UiO‐66 and protic solvents in activated processes(2019)
Authors: Chiara Caratelli, Julianna Hajek, Evert Jan Meijer, Michel Waroquier, Veronique Van Speybroeck
Pages: 15315 - 15325 - Immobilization of Ir(I) complex on covalent triazine frameworks for C-H borylation reactions : a combined experimental and computational study(2019)
Authors: Norini Binti Tahir, Francesco Muniz Miranda, Jonas Everaert, Pieter Tack, Thomas Heugebaert, Karen Leus, Laszlo Vincze, Christian Stevens, Veronique Van Speybroeck, Pascal Van Der Voort
Pages: 135 - 143 - i-PI 2.0 : a universal force engine for advanced molecular simulations(2019)
Authors: Venkat Kapil, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, et al.
Pages: 214 - 223 - Frontiers in modeling metal-organic frameworks(2019)
Authors: Bartolomeo Civalleri, Guillaume Maurin, Veronique Van Speybroeck
- On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5(2019)
Authors: Aran Lamaire, Jelle Wieme, Sven Rogge, Michel Waroquier, Veronique Van Speybroeck
- Active role of methanol in post-synthetic linker exchange in the metal–organic framework UiO-66(2019)
Authors: Joao Marreiros, Chiara Caratelli, Julianna Hajek, Andraz Krajnc, Guillaume Fleury, Bart Bueken, Dirk E. De Vos, Gregor Mali, Maarten B. J. Roeffaers, Veronique Van Speybroeck, et al.
Pages: 1359 - 1369 - Structure-mechanical stability relations of metal-organic frameworks via machine learning(2019)
Authors: Peyman Z. Moghadam, Sven Rogge, Aurelia Li, Chun-Man Chow, Jelle Wieme, Noushin Moharrami, Marta Aragones-Anglada, Gareth Conduit, Diego A. Gomez-Gualdron, Veronique Van Speybroeck, et al.
Pages: 219 - 234 - Insight into the role of water on the methylation of hexamethylbenzene in H‐SAPO‐34 from first principle molecular dynamics simulations(2019)
Authors: Simon Bailleul, Sven Rogge, Louis Vanduyfhuys, Veronique Van Speybroeck
Pages: 3993 - 4010