Steven Vandenbrande
Steven Vandenbrande
Former PhD Student, Center for Molecular Modeling, Ghent University
Verified email at
Cited by
Cited by
i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...
Computer Physics Communications 236, 214-223, 2019
QuickFF: A program for a quick and easy derivation of force fields for metal‐organic frameworks from ab initio input
L Vanduyfhuys, S Vandenbrande, T Verstraelen, R Schmid, M Waroquier, ...
Journal of Computational Chemistry 36 (13), 1015-1027, 2015
Minimal basis iterative stockholder: atoms in molecules for force-field development
T Verstraelen, S Vandenbrande, F Heidar-Zadeh, L Vanduyfhuys, ...
Journal of Chemical Theory and Computation 12 (8), 3894-3912, 2016
Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals
L Vanduyfhuys, SMJ Rogge, J Wieme, S Vandenbrande, G Maurin, ...
Nature communications 9 (1), 204, 2018
Thermodynamic insight in the high-pressure behavior of UiO-66: effect of linker defects and linker expansion
SMJ Rogge, J Wieme, L Vanduyfhuys, S Vandenbrande, G Maurin, ...
Chemistry of Materials 28 (16), 5721-5732, 2016
Light olefin diffusion during the MTO process on H-SAPO-34: A complex interplay of molecular factors
P Cnudde, R Demuynck, S Vandenbrande, M Waroquier, G Sastre, ...
Journal of the American Chemical Society 142 (13), 6007-6017, 2020
Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal–organic frameworks
L Vanduyfhuys, S Vandenbrande, J Wieme, M Waroquier, T Verstraelen, ...
Journal of Computational Chemistry 39 (16), 999-1011, 2018
The monomer electron density force field (MEDFF): A physically inspired model for noncovalent interactions
S Vandenbrande, M Waroquier, VV Speybroeck, T Verstraelen
Journal of Chemical Theory and Computation 13 (1), 161-179, 2017
Thermal engineering of metal–organic frameworks for adsorption applications: a molecular simulation perspective
J Wieme, S Vandenbrande, A Lamaire, V Kapil, L Vanduyfhuys, ...
ACS applied materials & interfaces 11 (42), 38697-38707, 2019
High-rate nanofluidic energy absorption in porous zeolitic frameworks
Y Sun, SMJ Rogge, A Lamaire, S Vandenbrande, J Wieme, CR Siviour, ...
Nature Materials 20 (7), 1015-1023, 2021
Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes
SMJ Rogge, R Goeminne, R Demuynck, JJ Gutiérrez‐Sevillano, ...
Advanced Theory and Simulations 2 (4), 1800177, 2019
Yaff, yet another force field
T Verstraelen, L Vanduyfhuys, S Vandenbrande, SMJ Rogge
can be found under http://molmod. ugent. be/software, 2022
Methane adsorption in zr-based mofs: Comparison and critical evaluation of force fields
S Vandenbrande, T Verstraelen, JJ Gutiérrez-Sevillano, M Waroquier, ...
The Journal of Physical Chemistry C 121 (45), 25309-25322, 2017
Direct computation of parameters for accurate polarizable force fields
T Verstraelen, S Vandenbrande, PW Ayers
The Journal of Chemical Physics 141 (19), 2014
Horton 2.0. 1
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
URL http://theochem. github. com/horton, 2015
Charting the metal-dependent high-pressure stability of bimetallic UiO-66 materials
SMJ Rogge, PG Yot, J Jacobsen, F Muniz-Miranda, S Vandenbrande, ...
ACS Materials Letters 2 (4), 438-445, 2020
Modeling the structural and thermal properties of loaded metal–organic frameworks. An interplay of quantum and anharmonic fluctuations
V Kapil, J Wieme, S Vandenbrande, A Lamaire, V Van Speybroeck, ...
Journal of chemical theory and computation 15 (5), 3237-3249, 2019
Ab initio evaluation of Henry coefficients using importance sampling
S Vandenbrande, M Waroquier, V Van Speybroeck, T Verstraelen
Journal of chemical theory and computation 14 (12), 6359-6369, 2018
Chlorination of a zeolitic-imidazolate framework tunes packing and van der Waals interaction of carbon dioxide for optimized adsorptive separation
LH Wee, S Vandenbrande, SMJ Rogge, J Wieme, K Asselman, EO Jardim, ...
Journal of the American Chemical Society 143 (13), 4962-4968, 2021
Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO‐66
C Caratelli, J Hajek, SMJ Rogge, S Vandenbrande, EJ Meijer, ...
ChemPhysChem 19 (4), 420-429, 2018
The system can't perform the operation now. Try again later.
Articles 1–20