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ACS Physical Chemistry Au|March 30, 2026
Challenges and Best Practices in Modeling Anisotropic Stresses in Soft Polymorphic MaterialsJelto Neirynck, Sander Geerinckx, Sven M J RoggeAdvanced Materials (Deerfield Beach, Fla.)|January 11, 2025
Electrically Switchable Multi-Stable Topological States Enabled by Surface-Induced Frustration in Nematic Liquid Crystal CellsJelto Neirynck, Yu-Tung Hsiao, Migle Stebryte, et al.Faraday Discussions|October 26, 2020
The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworksSven M J RoggeAccounts of Chemical Research|November 21, 2017
Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal-Organic FrameworksSven M J Rogge, Michel Waroquier, Veronique Van SpeybroeckFrontiers in Chemistry|September 13, 2021
Large-Scale Molecular Dynamics Simulations Reveal New Insights Into the Phase Transition Mechanisms in MIL-53(Al)Sander Vandenhaute, Sven M J Rogge, Veronique Van SpeybroeckNature Communications|October 26, 2019
Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystalsSven M J Rogge, Michel Waroquier, Veronique Van SpeybroeckJournal of Chemical Theory and Computation|December 12, 2023
OGRe: Optimal Grid Refinement Protocol for Accurate Free Energy Surfaces and Its Application in Proton Hopping in Zeolites and 2D COF StackingSander Borgmans, Sven M J Rogge, Louis Vanduyfhuys, et al.The Journal of Chemical Physics|March 10, 2019
On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5Aran Lamaire, Jelle Wieme, Sven M J Rogge, et al.Frontiers in Chemistry|December 3, 2021
Perspectives on the Influence of Crystal Size and Morphology on the Properties of Porous Framework MaterialsClaire L Hobday, Simon Krause, Sven M J Rogge, et al.Journal of Chemical Theory and Computation|February 15, 2018
The Importance of Cell Shape Sampling To Accurately Predict Flexibility in Metal-Organic FrameworksSven M J Rogge, Senne Caroes, Ruben Demuynck, et al.Pageof 3