Louis Vanduyfhuys

7PUBLICATIONS
21CO-AUTHORS
Micro-manipulationMetal organic frameworksComputational chemistryReaction kinetics and dynamicsTheory and design of materials
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Publications (7)

|Dec 05, 2024
Long-Range and Coupled Rotor Dynamics in NO2-MIL-53(Al) by Classical Molecular Dynamics.

Srinidhi Mula, Joris Bierkens, Louis Vanduyfhuys

|Jun 10, 2024
Reaching Quantum Accuracy in Predicting Adsorption Properties for Ethane/Ethene in Zeolitic Imidazolate Framework-8 at Low Pressure Regime.

Siddharth Ravichandran, Mahsa Najafi, Ruben Goeminne

|Dec 12, 2023
OGRe: Optimal Grid Refinement Protocol for Accurate Free Energy Surfaces and Its Application in Proton Hopping in Zeolites and 2D COF Stacking.

Sander Borgmans, Sven M J Rogge, Louis Vanduyfhuys

|Sep 06, 2023
Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations.

Veronique Van Speybroeck, Massimo Bocus, Pieter Cnudde

|Aug 29, 2023
DFT-Quality Adsorption Simulations in Metal-Organic Frameworks Enabled by Machine Learning Potentials.

Ruben Goeminne, Louis Vanduyfhuys, Veronique Van Speybroeck

|Mar 07, 2022
Mechanistic Characterization of Zeolite-Catalyzed Aromatic Electrophilic Substitution at Realistic Operating Conditions.

Massimo Bocus, Louis Vanduyfhuys, Frank De Proft

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Frequent Collaborators

6 joint publications

Veronique Van Speybroeck

2 joint publications

Massimo Bocus

2 joint publications

Ruben Goeminne

1 joint publications

Paul Iacomi