Researcher
Sven Rogge
- Keywords:Crystallinity, Amorphisation, Mechanical properties, Metal-organic frameworks, Thermodynamics, Mechanical stability, Phase transformations, Covalent organic frameworks
- Disciplines:Statistical mechanics, Nanophysics and nanosystems, Thermodynamics, Phase transformations, Crystallography, Structural and mechanical properties, Theoretical and computational chemistry not elsewhere classified, Quantum chemistry, Soft condensed matter, Statistical mechanics in chemistry, Statistical physics, Computational physics
Affiliations
- Department of Applied physics (Department)
Member
From10 Jul 2014 → Today
Projects
1 - 6 of 6
- Computational modelling of strain fields in disordered nanostructured materialsFrom4 Oct 2023 → TodayFunding: BOF - projects
- BOF ZAP applied physicsFrom1 Sep 2023 → TodayFunding: BOF - ZAP BOF mandates
- Bridging the gap between density functional theory and quantum tensor networks to accurately model strongly correlated nanostructured materialsFrom1 Jan 2023 → TodayFunding: BOF - projects
- 3D strain fields for functional 4D material design: A unifying computational protocol to tune the phase stability of strain-engineered nanostructured materialsFrom1 Oct 2021 → 31 Aug 2023Funding: FWO senior postdoctoral fellowship
- Development of a micromechanical model to study the effect of spatial disorder on the structural and mechanical behaviour of metal-organic frameworks.From1 Oct 2018 → 30 Sep 2021Funding: FWO fellowships
- Advanced Molecular Dynamics simulations for a full characterization of mechanical properties of metal-organic frameworksFrom1 Oct 2014 → 30 Sep 2018Funding: BOF - Other initiatives, FWO fellowships
Publications
1 - 10 of 49
- MOFs for long-term gas storage : exploiting kinetic trapping in ZIF-8 for on-demand and stimuli-controlled gas release(2023)
Authors: Karsten Heinz, Sven Rogge, Andreas Kalytta-Mewes, Dirk Volkmer, Hana Bunzen
Pages: 4763 - 4772 - Microscopic linker distribution in mixed-linker zeolitic imidazolate frameworks via computational raman spectroscopy : implications for gas separation(2023)
Authors: Alexander Hoffman, João Marreiros, Sven Rogge, Rob Ameloot
Pages: 5645 - 5652 - MicMec : developing the micromechanical model to investigate the mechanics of correlated node defects in UiO-66(2023)
Authors: Joachim Vandewalle, Juul De Vos, Sven Rogge
Pages: 6060 - 6070 - Absorbing stress via molecular crumple zones : strain engineering flexibility into the rigid UiO-66 material(2023)
Authors: Sven Rogge, Sander Borgmans, Veronique Van Speybroeck
Pages: 1435 - 1462 - Quantum tunneling rotor as a sensitive atomistic probe of guests in a metal-organic framework(2023)
Authors: Kirill Titov, Matthew R. Ryder, Aran Lamaire, Zhixin Zeng, Abhijeet K. Chaudhari, James Taylor, E. M. Mahdi, Sven Rogge, Sanghamitra Mukhopadhyay, Svemir Rudic, et al.
- OGRe : optimal grid refinement protocol for accurate free energy surfaces and its application in proton hopping in zeolites and 2D COF stacking(2023)
Authors: Sander Borgmans, Sven Rogge, Louis Vanduyfhuys, Veronique Van Speybroeck
Pages: 9032 - 9048 - Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks(2023)
Authors: Sander Borgmans, Sven Rogge, Juul De Vos, Pascal Van Der Voort, Veronique Van Speybroeck
- Computational modelling of MOF mechanics : from elastic behaviour to phase transformations(2023)Series: Inorganic materials
Authors: Sven Rogge, Jin-Chong Tan
Pages: 113 - 204 - ReDD-COFFEE : a ready-to-use database of covalent organic framework structures and accurate force fields to enable high-throughput screenings(2023)
Authors: Juul De Vos, Sander Borgmans, Pascal Van Der Voort, Sven Rogge, Veronique Van Speybroeck
Pages: 7468 - 7487 - Additivity of atomic strain fields as a tool to strain-engineering phase-stabilized CsPbI3 perovskites(2023)
Authors: Jos Teunissen, Tom Braeckevelt, Irina Skvortsova, Jinhui Guo, Bapi Pradhan, Elke Debroye, Maarten B. J. Roeffaers, Johan Hofkens, Sandra Van Aert, Sara Bals, et al.
Pages: 23400 - 23411