Louis Vanduyfhuys

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 7

Top Topics

Minimally Invasive

Diffusion Weighted

Molecular Dynamics

Metal Organic Framework

Top Venues

Journal of chemical theory and computation

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Siddharth Ravichandran, Mahsa Najafi, Ruben Goeminne, Joeri F M Denayer, Veronique Van Speybroeck, Louis Vanduyfhuys
Reaching Quantum Accuracy in Predicting Adsorption Properties for Ethane/Ethene in Zeolitic Imidazolate Framework-8 at Low Pressure Regime. Journal of chemical theory and computation 20 (12) (2024)
Siddharth Ravichandran, Mahsa Najafi, Ruben Goeminne, Joeri F M Denayer, Veronique Van Speybroeck, Louis Vanduyfhuys
Reaching Quantum Accuracy in Predicting Adsorption Properties for Ethane/Ethene in Zeolitic Imidazolate Framework-8 at Low Pressure Regime. Journal of chemical theory and computation (2024)
Sander Borgmans, Sven M J Rogge, Louis Vanduyfhuys, Veronique Van Speybroeck
OGRe: Optimal Grid Refinement Protocol for Accurate Free Energy Surfaces and Its Application in Proton Hopping in Zeolites and 2D COF Stacking. Journal of chemical theory and computation (2023)
Ruben Goeminne, Louis Vanduyfhuys, Veronique Van Speybroeck, Toon Verstraelen
DFT-Quality Adsorption Simulations in Metal-Organic Frameworks Enabled by Machine Learning Potentials. Journal of chemical theory and computation (2023)
Veronique Van Speybroeck, Massimo Bocus, Pieter Cnudde, Louis Vanduyfhuys
Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations. ACS catalysis 13 (17) (2023)
Massimo Bocus, Louis Vanduyfhuys, Frank de Proft, Bert M Weckhuysen, Veronique Van Speybroeck
Mechanistic Characterization of Zeolite-Catalyzed Aromatic Electrophilic Substitution at Realistic Operating Conditions. JACS Au 2 (2) (2022)
Paul Iacomi, Ji Sun Lee, Louis Vanduyfhuys, Kyung Ho Cho, Pierre Fertey, Jelle Wieme, Dominique Granier, Guillaume Maurin, Veronique Van Speybroeck, Jong-San Chang, Pascal G Yot
Crystals springing into action: metal-organic framework CUK-1 as a pressure-driven molecular spring. Chemical science 12 (15) (2021)