Researcher
Louis Vanduyfhuys
- Keywords:Thermodynamics, Molecular Simulations on the Nanoscale, Statistical Physics, Material properties, Quantum Mechanics, Nanoporous materials, Phase transformations, Adsorption
- Disciplines:Atomic and molecular physics not elsewhere classified, Modelling and simulation, Statistical mechanics, Thermodynamics, Phase transformations
Affiliations
- Department of Applied physics (Department)
Member
From1 Sep 2010 → Today
Projects
1 - 7 of 7
- Computational investigation and targeting of the choline import system in pathogenic bacteria as a promising drug target.From1 Nov 2023 → TodayFunding: BOF - doctoral mandates
- Porous Networks for Gas SensingFrom1 Sep 2022 → TodayFunding: HORIZON.1.2 - Marie Skłodowska-Curie-actions (MSCA)
- 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)
- Computational structural characterisation on the nanoscaleFrom1 Oct 2020 → TodayFunding: BOF - projects
- Tenure track professorship in computational structural characterisation at the nanoscaleFrom1 Oct 2019 → TodayFunding: BOF - tenure track
- Development of thermodynamic models to describe stimuli-responsive behavior of soft porous crystals induced by a single trigger or by a combination of multiple correlated stimuliFrom1 Oct 2018 → 30 Sep 2021Funding: FWO fellowships
- Development of a generic methodology for the derivation of transferable force fields for metal organic frameworksFrom1 Oct 2011 → 30 Sep 2015Funding: BOF - Other initiatives, FWO fellowships
Publications
1 - 10 of 51
- Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations(2023)
Authors: Veronique Van Speybroeck, Massimo Bocus, Pieter Cnudde, Louis Vanduyfhuys
Pages: 11455 - 11493 - 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 - 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 - Mechanistic characterization of zeolite-catalyzed aromatic electrophilic substitution at realistic operating conditions(2022)
Authors: Massimo Bocus, Louis Vanduyfhuys, Frank De Proft, Bert M. Weckhuysen, Veronique Van Speybroeck
Pages: 502 - 514 - Crystals springing into action : metalU+2013organic framework CUK-1 as a pressure-driven molecular spring(2021)
Authors: Paul Iacomi, Ji Sun Lee, Louis Vanduyfhuys, Kyung Ho Cho, Pierre Fertey, Jelle Wieme, Dominique Granier, Guillaume Maurin, Jong-San Chang, Pascal G. Yot
Pages: 5682 - 5687 - Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction(2020)
Authors: Simon Bailleul, Karen Dedecker, Pieter Cnudde, Louis Vanduyfhuys
Pages: 38 - 51 - Cation-pi Interactions accelerate the living cationic ring-opening polymerization of unsaturated 2-alkyl-2-oxazolines(2020)
Authors: Elias Van Den Broeck, Bart Verbraeken, Karen Dedecker, Pieter Cnudde, Louis Vanduyfhuys, Toon Verstraelen, Kristof Van Hecke, Valentin-Victor Jerca, Saron Catak, Richard Hoogenboom
Pages: 3832 - 3846 - Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loadings and Si/Al ratios using first-principles molecular dynamics simulations(2020)
Authors: Stefan A. F. Nastase, Pieter Cnudde, Louis Vanduyfhuys, Kristof De Wispelaere, C. Richard A. Catlow, Andrew J. Logsdail
Pages: 8904 - 8915 - 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 - Thermal engineering of metal–organic frameworks for adsorption applications : a molecular simulation perspective(2019)
Authors: Jelle Wieme, Steven Vandenbrande, Aran Lamaire, Venkat Kapil, Louis Vanduyfhuys, Veronique Van Speybroeck
Pages: 38697 - 38707