Louis Vanduyfhuys
Zwijnaarde, VLG, Belgium
Last Updated: 09/26/2026
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Found 27 publications
First-Principles Simulations of Chemical Transformations in Nanoporous Materials and Industrial Catalysts.
Journal: Annual review of physical chemistry
Published: February 23, 2026
Best-Practice Reporting for Porous Materials Adsorption Data.
Journal: Angewandte Chemie (International ed. in English)
Published: June 21, 2025
Long-Range and Coupled Rotor Dynamics in NO2-MIL-53(Al) by Classical Molecular Dynamics.
Journal: The journal of physical chemistry. C, Nanomaterials and interfaces
Published: August 30, 2024
Reaching Quantum Accuracy in Predicting Adsorption Properties for Ethane/Ethene in Zeolitic Imidazolate Framework-8 at Low Pressure Regime.
Journal: Journal of chemical theory and computation
Published: June 10, 2024
OGRe: Optimal Grid Refinement Protocol for Accurate Free Energy Surfaces and Its Application in Proton Hopping in Zeolites and 2D COF Stacking.
Journal: Journal of chemical theory and computation
Published: December 12, 2023
DFT-Quality Adsorption Simulations in Metal-Organic Frameworks Enabled by Machine Learning Potentials.
Journal: Journal of chemical theory and computation
Published: August 29, 2023
Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations.
Journal: ACS catalysis
Published: March 30, 2020
Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal-Organic Frameworks.
Journal: Journal of chemical theory and computation
Published: October 19, 2018
How Chain Length and Branching Influence the Alkene Cracking Reactivity on H-ZSM-5.
Journal: ACS catalysis
Published: May 07, 2018
Last Updated: 09/26/2026