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
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
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
Using classical density functional theory to unravel the complex fluid structure of guest species adsorbed in nanoporous materials Read more about Using classical density functional theory to unravel the complex fluid structure of guest species adsorbed in nanoporous materials
Unraveling the vibrational fingerprint of guest-loaded nanoporous materials through computational derivation and partitioning of IR and Raman spectra Read more about Unraveling the vibrational fingerprint of guest-loaded nanoporous materials through computational derivation and partitioning of IR and Raman spectra