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 EUROMOF 2019Paris, FranceMonday, 28 October, 2019 Read more about Structural organisation of water in zirconium-based metal-organic frameworks
Unraveling the Thermodynamic Criteria for Size-Dependent Spontaneous Phase Separation in Soft Porous Crystals S.M.J. Rogge, M. Waroquier, V. Van Speybroeck ISBN/ISSN:Invited talkConference / event / venue FlexMOF Symposium 2019Dresden, GermanyTuesday, 3 December, 2019 to Thursday, 5 December, 2019 Read more about Unraveling the Thermodynamic Criteria for Size-Dependent Spontaneous Phase Separation in Soft Porous Crystals
Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations S.M.J. Rogge, R. Demuynck, G. Maurin, S. Vandenbrande, L. Vanduyfhuys, T. Verstraelen, M. Waroquier, J. Wieme, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue Hybrid Materials GroupCambridge, United KingdomWednesday, 21 August, 2019 Read more about Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations
Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations S.M.J. Rogge, R. Demuynck, G. Maurin, S. Vandenbrande, L. Vanduyfhuys, T. Verstraelen, M. Waroquier, J. Wieme, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue The Grey GroupCambridge, United KingdomTuesday, 20 August, 2019 Read more about Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations
Unravelling the Thermodynamic Criteria for Size-Dependent Spontaneous Phase Separation in Soft Porous Crystals S.M.J. Rogge, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue MMCOxford, United KingdomTuesday, 6 August, 2019 Read more about Unravelling the Thermodynamic Criteria for Size-Dependent Spontaneous Phase Separation in Soft Porous Crystals
Unraveling the meaning of time in coarse-grained molecular dynamics simulations to study diffusion in heterogeneously disordered MOFs E. Lievens Master of Science in Engineering Physics2020Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Unraveling the meaning of time in coarse-grained molecular dynamics simulations to study diffusion in heterogeneously disordered MOFs
Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations S.M.J. Rogge, R. Demuynck, G. Maurin, S. Vandenbrande, L. Vanduyfhuys, T. Verstraelen, M. Waroquier, J. Wieme, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue The Goodwin GroupOxford, United KingdomMonday, 22 July, 2019 Read more about Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations
ZIF-8 as a high-impact shock absorber? Unraveling the anomalous high-rate water intrusion in ZIF-8 by simulation and experiment S.M.J. Rogge, Y. Sun, A. Lamaire, S. Vandenbrande, J. Wieme, J.-C. Tan, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue MMCOxford, United KingdomTuesday, 18 June, 2019 Read more about ZIF-8 as a high-impact shock absorber? Unraveling the anomalous high-rate water intrusion in ZIF-8 by simulation and experiment
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 MMCOxford, United KingdomTuesday, 4 June, 2019 Read more about Reliably modeling the mechanical stability of MOFs at increasing length scales to unleash their full industrial potential
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 MOFSIM2019Ghent, BelgiumWednesday, 10 April, 2019 to Friday, 12 April, 2019 Read more about Nuclear quantum effects in metal-organic frameworks