Sven M.J. Rogge

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Veronique Van SpeybroeckFull professor, Ghent UniversityVerified email at ugent.be
Louis VanduyfhuysAssistent Professor Applied Physics, Center for Molecular Modeling, Ghent UniversityVerified email at ugent.be
Jelle WiemeCenter for Molecular Modeling, Ghent UniversityVerified email at ugent.be
Steven VandenbrandeFormer PhD Student, Center for Molecular Modeling, Ghent UniversityVerified email at ugent.be
Pascal Van Der Voortfull professor chemistryVerified email at ugent.be
guillaume maurinmontpellier, marseille, londonVerified email at umontpellier.fr
Sander BorgmansPhD Fellow, Center for Molecular Modeling, Ghent UniversityVerified email at ugent.be
Toon VerstraelenCenter for Molecular Modeling, Ghent UniverstyVerified email at UGent.be
Eric BreynaertKU Leuven - NMRCoRe // KU Leuven - Center for Surface Chemistry and Catalysis, Characterisation andVerified email at kuleuven.be
Anastasiya BavykinaKing Abdullah University of Science and TechnologyVerified email at kaust.edu.sa
Freek KapteijnHoogleraar Catalysis Engineering, Technische universiteit DelftVerified email at tudelft.nl
Jorge GasconKing Abdullah University of Science and Technology (KAUST)Verified email at kaust.edu.sa
Hermenegildo GarciaUniversitat Politecnica de ValenciaVerified email at qim.upv.es
Antonio Sepúlveda-EscribanoCatedrático de Química Inorgánica (Universidad de Alicante)Verified email at ua.es
Marco DaturiProfesseur de Chimie, Normandie Université, Université de Caen, ENSICAEN, CNRSVerified email at ensicaen.fr
Alma Itzel Olivos SuárezDelft University of TechnologyVerified email at tudelft.nl
Francesc X. Llabrés i XamenaInstituto de Tecnología Química UPV CSICVerified email at itq.upv.es
ENRIQUE VICENTE RAMOS FERNAN...Universidad de AlicanteVerified email at ua.es
Alexander E.J. HoffmanPhD, Center for Molecular Modeling, Ghent UniversityVerified email at UGent.be
An GhyselsGhent UniversityVerified email at ugent.be

Sven M.J. Rogge

Associate Research Professor, Center for Molecular Modeling, Ghent University

Verified email at UGent.be - Homepage

Strain engineering molecular simulations MOFs perovskites structural disorder


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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	958	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	481	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	230	2020
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	224	2019
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	130	2022
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	119	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	118	2016
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	107	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	106	2018
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	105	2021
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	79	2018
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	62	2019
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	62	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	60	2016
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	57	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	47	2019
Yaff, yet another force field T Verstraelen, L Vanduyfhuys, S Vandenbrande, SMJ Rogge	44*	2013
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	43	2019
Towards modeling spatiotemporal processes in metal–organic frameworks V Van Speybroeck, S Vandenhaute, AEJ Hoffman, SMJ Rogge Trends in Chemistry 3 (8), 605-619, 2021	30	2021
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	30	2020

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