Sven M.J. Rogge
Sven M.J. Rogge
Senior FWO Postdoctoral Fellow, Center for Molecular Modeling, Ghent University
Verified email at - Homepage
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Metal–organic and covalent organic frameworks as single-site catalysts
SMJ Rogge, A Bavykina, J Hajek, H Garcia, AI Olivos-Suarez, ...
Chemical Society Reviews 46 (11), 3134-3184, 2017
Thermal unequilibrium of strained black CsPbI3 thin films
JA Steele, H Jin, I Dovgaliuk, RF Berger, T Braeckevelt, H Yuan, C Martin, ...
Science 365 (6454), 679-684, 2019
Structure-mechanical stability relations of metal-organic frameworks via machine learning
PZ Moghadam, SMJ Rogge, A Li, CM Chow, J Wieme, N Moharrami, ...
Matter 1 (1), 219-234, 2019
Strongly Reducing (Diarylamino)benzene-Based Covalent Organic Framework for Metal-Free Visible Light Photocatalytic H2O2 Generation
C Krishnaraj, H Sekhar Jena, L Bourda, A Laemont, P Pachfule, J Roeser, ...
Journal of the American Chemical Society 142 (47), 20107-20116, 2020
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
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
A comparison of barostats for the mechanical characterization of metal–organic frameworks
SMJ Rogge, L Vanduyfhuys, A Ghysels, M Waroquier, T Verstraelen, ...
Journal of chemical theory and computation 11 (12), 5583-5597, 2015
Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks
SMJ Rogge, M Waroquier, V Van Speybroeck
Accounts of chemical research 51 (1), 138-148, 2018
Elucidating the Vibrational Fingerprint of the Flexible Metal–Organic Framework MIL-53 (Al) Using a Combined Experimental/Computational Approach
AEJ Hoffman, L Vanduyfhuys, I Nevjestic, J Wieme, SMJ Rogge, ...
The Journal of Physical Chemistry C 122 (5), 2734-2746, 2018
Efficient Construction of Free Energy Profiles of Breathing Metal–Organic Frameworks Using Advanced Molecular Dynamics Simulations
R Demuynck, SMJ Rogge, L Vanduyfhuys, J Wieme, M Waroquier, ...
Journal of chemical theory and computation 13 (12), 5861-5873, 2017
Exploring the Flexibility of MIL-47 (V)-Type Materials Using Force Field Molecular Dynamics Simulations
J Wieme, L Vanduyfhuys, SMJ Rogge, M Waroquier, V Van Speybroeck
The Journal of Physical Chemistry C 120 (27), 14934-14947, 2016
Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
SMJ Rogge, M Waroquier, V Van Speybroeck
Nature communications 10 (1), 4842, 2019
Yaff, yet another force field
T Verstraelen, L Vanduyfhuys, S Vandenbrande, SMJ Rogge
Hydrogen clathrates: Next generation hydrogen storage materials
A Gupta, GV Baron, P Perreault, S Lenaerts, RG Ciocarlan, P Cool, ...
Energy Storage Materials 41, 69-107, 2021
How reproducible are surface areas calculated from the BET equation?
JWM Osterrieth, J Rampersad, D Madden, N Rampal, L Skoric, ...
Advanced Materials 34 (27), 2201502, 2022
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
Pillared-layered metal–organic frameworks for mechanical energy storage applications
J Wieme, SMJ Rogge, PG Yot, L Vanduyfhuys, SK Lee, JS Chang, ...
Journal of Materials Chemistry A 7 (39), 22663-22674, 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
Semi-analytical mean-field model for predicting breathing in metal–organic frameworks
L Vanduyfhuys, A Ghysels, SMJ Rogge, R Demuynck, V Van Speybroeck
Molecular Simulation 41 (16-17), 1311-1328, 2015
Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal–Organic …
R Demuynck, J Wieme, SMJ Rogge, KD Dedecker, L Vanduyfhuys, ...
Journal of chemical theory and computation 14 (11), 5511-5526, 2018
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