Structural organisation of water in zirconium-based metal-organic frameworks A. Lamaire, J. Wieme, S.M.J. Rogge, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue MOFSIM2019Ghent, BelgiumThursday, 11 April, 2019 Read more about Structural organisation of water in zirconium-based metal-organic frameworks
Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, J. Wieme, R. Demuynck, C. Stevens, P. Van der Voort, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue MOLSIM2019Amsterdam, The NetherlandsThursday, 10 January, 2019 Read more about Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations
Unraveling the meaning of time in coarse-grained molecular dynamics simulations to study diffusion in heterogeneously disordered MOFs Read more about Unraveling the meaning of time in coarse-grained molecular dynamics simulations to study diffusion in heterogeneously disordered MOFs
Investigating the impact of localized defects on the mechanical properties of ZIF-8 Read more about Investigating the impact of localized defects on the mechanical properties of ZIF-8
Investigating the impact of long-range spatial disorder on the stability of flexible and defective metal-organic frameworks with coarse-grained models Read more about Investigating the impact of long-range spatial disorder on the stability of flexible and defective metal-organic frameworks with coarse-grained models
Does water behave as a solvent in confinement? The impact of the framework symmetry and topology of ZIFs Read more about Does water behave as a solvent in confinement? The impact of the framework symmetry and topology of ZIFs
Reliably modeling the mechanical stability of MOFs at increasing length scales to unleash their full industrial potential S.M.J. Rogge, J. Wieme, R. Demuynck, S. Vandenhaute, L. Vanduyfhuys, T. Verstraelen, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue MOF2018Auckland, New ZealandSunday, 9 December, 2018 to Thursday, 13 December, 2018 Read more about Reliably modeling the mechanical stability of MOFs at increasing length scales to unleash their full industrial potential
Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks J. Wieme, K. Lejaeghere, L. Vanduyfhuys, R. Demuynck, S.M.J. Rogge, S. Vandenbrande, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue MOF2018Auckland, New ZealandSunday, 9 December, 2018 to Thursday, 13 December, 2018 Read more about Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks
Nuclear quantum effects in metal-organic frameworks A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Ab initio Modeling in Solid State ChemistryTorino, ItalyWednesday, 5 September, 2018 Read more about Nuclear quantum effects in metal-organic frameworks
Nuclear quantum effects in metal-organic frameworks A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Path Integral Quantum Mechanics: From the Basics to the Latest DevelopmentsLausanne, SwitzerlandWednesday, 27 June, 2018 Read more about Nuclear quantum effects in metal-organic frameworks