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
11 - 20 of 126
- Machine learning potentials for metal-organic frameworks using an incremental learning approach(2023)
Authors: Sander Vandenhaute, Maarten Cools-Ceuppens, Simon DeKeyser, Toon Verstraelen, Veronique Van Speybroeck
- Super-oxidizing covalent triazine framework electrocatalyst for two-electron water oxidation to H2O2(2023)
Authors: Ruqia Khan, Jeet Chakraborty, Kuber Singh Rawat, Rino Morent, Nathalie De Geyter, Veronique Van Speybroeck, Pascal Van Der Voort
- Quantum free energy profiles for molecular proton transfers(2023)
Authors: Aran Lamaire, Maarten Cools-Ceuppens, Massimo Bocus, Toon Verstraelen, Veronique Van Speybroeck
Pages: 18 - 24 - DFT-quality adsorption simulations in metal-organic frameworks enabled by machine learning potentials(2023)
Authors: Ruben Goeminne, Louis Vanduyfhuys, Veronique Van Speybroeck, Toon Verstraelen
Pages: 6313 - 6325 - Pyrene‐based covalent organic frameworks for photocatalytic hydrogen peroxide production(2023)
Authors: Jiamin Sun, Himanshu Jena, Chidharth Krishnaraj, Kuber Singh Rawat, Sara Abednatanzi, Jeet Chakraborty, Andreas Laemont, Wanlu Liu, Hui Chen, Ying-Ya Liu, et al.
- OGRe : optimal grid refinement protocol for accurate free energy surfaces and its application in proton hopping in zeolites and 2D COF stacking(2023)
Authors: Sander Borgmans, Sven Rogge, Louis Vanduyfhuys, Veronique Van Speybroeck
Pages: 9032 - 9048 - Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks(2023)
Authors: Sander Borgmans, Sven Rogge, Juul De Vos, Pascal Van Der Voort, Veronique Van Speybroeck
- Simulations in the era of exascale computing(2023)
Authors: Choongseok Chang, Volker L. Deringer, Kalpana S. Katti, Veronique Van Speybroeck, Christopher M. Wolverton
Pages: 309 - 313 - Phosphorus covalent triazine framework-based nanomaterials for electrocatalytic hydrogen evolution reaction(2023)
Authors: Himanshu Jena, Chidharth Krishnaraj, Biraj Kanta Satpathy, Kuber Singh Rawat, Karen Leus, Savita Kaliya Perumal Veerapandian, Rino Morent, Nathalie De Geyter, Veronique Van Speybroeck, Debabrata Pradhan, et al.
Pages: 22684 - 22692 - ReDD-COFFEE : a ready-to-use database of covalent organic framework structures and accurate force fields to enable high-throughput screenings(2023)
Authors: Juul De Vos, Sander Borgmans, Pascal Van Der Voort, Sven Rogge, Veronique Van Speybroeck
Pages: 7468 - 7487