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
Systematically identifying the collective variables describing phase transformations in flexible materials K. Dedecker, R. Demuynck, S.M.J. Rogge, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue ML4MSHelsinki, FinlandMonday, 6 May, 2019 to Friday, 10 May, 2019 Read more about Systematically identifying the collective variables describing phase transformations in flexible materials
Systematically identifying the collective variables describing phase transformations in flexible materials K. Dedecker, R. Demuynck, S.M.J. Rogge, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue MOFSIMGhent, BelgiumWednesday, 10 April, 2019 to Friday, 12 April, 2019 Read more about Systematically identifying the collective variables describing phase transformations in flexible materials
Systematically identifying the collective variables describing phase transformations in flexible materials K. Dedecker, R. Demuynck, S.M.J. Rogge, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue MOLSIM2019Amsterdam, NetherlandsMonday, 7 January, 2019 to Friday, 18 January, 2019 Read more about Systematically identifying the collective variables describing phase transformations in flexible materials
Construction of a Ready-to-Use Database to Enable Accurate High-Throughput Screenings of Covalent Organic Frameworks J. De Vos, S. Borgmans, S.M.J. Rogge, R. Demuynck, P. Van der Voort, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue MOFSIM2019Ghent, BelgiumWednesday, 10 April, 2019 to Friday, 12 April, 2019 Read more about Construction of a Ready-to-Use Database to Enable Accurate High-Throughput Screenings of Covalent Organic Frameworks
Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue MOFSIM2019Ghent, BelgiumWednesday, 10 April, 2019 to Friday, 12 April, 2019 Read more about Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy
Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Computational spectroscopy: bridging theory and experimentComo, ItalySunday, 9 September, 2018 to Friday, 14 September, 2018 Read more about Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy
Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Ab initio modeling in solid state chemistryTorino, ItalySunday, 2 September, 2018 to Friday, 7 September, 2018 Read more about Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy
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 MOFSIM 2019Ghent, BelgiumThursday, 11 April, 2019 Read more about Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations