Assessing the flexibility and loss of crystallinity in metal-organic frameworks from a thermodynamic point of view S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, S. Vandenbrande, G. Maurin, T. Verstraelen, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue EUROMOF 2017Delft, The NetherlandsMonday, 30 October, 2017 Read more about Assessing the flexibility and loss of crystallinity in metal-organic frameworks from a thermodynamic point of view
The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks R. Goeminne Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen Read more about The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks
Including nuclear quantum effects via path integral techniques to accurately model breathing in metal-organic frameworks L. De Bruecker Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Including nuclear quantum effects via path integral techniques to accurately model breathing in metal-organic frameworks
High-throughput screening to predict the textural and adsorption properties of covalent organic frameworks using a top-down approach J. De Vos Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about High-throughput screening to predict the textural and adsorption properties of covalent organic frameworks using a top-down approach
From data science to physical insight: systematically identifying the collective variables describing phase transformations in flexible materials K. Dedecker Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about From data science to physical insight: systematically identifying the collective variables describing phase transformations in flexible materials
Constructing accurate coarse-grained force fields by variational minimization: The subtle balance between accuracy and sparseness S. Vandenhaute Master of Science in Engineering Physics2018Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen Read more about Constructing accurate coarse-grained force fields by variational minimization: The subtle balance between accuracy and sparseness
A thermodynamic characterization of mechanical, thermal and adsorption properties of flexible metal-organic frameworks L. Vanduyfhuys, S.M.J. Rogge, J. Wieme, S. Vandenbrande, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue EUROMAT 2017Thessaloniki, GreeceSunday, 17 September, 2017 to Friday, 22 September, 2017 Read more about A thermodynamic characterization of mechanical, thermal and adsorption properties of flexible metal-organic frameworks
A thermodynamic approach to accurately determine the flexibility and loss of crystallinity in metal-organic frameworks S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, S. Vandenbrande, G. Maurin, T. Verstraelen, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue EUROMAT 2017Thessaloníki, GreeceThursday, 21 September, 2017 Read more about A thermodynamic approach to accurately determine the flexibility and loss of crystallinity in metal-organic frameworks
Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations J. Wieme, L. Vanduyfhuys, S.M.J. Rogge, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue EUROMAT 2017Thessaloniki, GreeceSunday, 17 September, 2017 to Friday, 22 September, 2017 Read more about Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations
Thermodynamic approach to accurately determine pressure profiles for metal-organic frameworks to assess their flexibility and loss of crystallinity S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, S. Vandenbrande, G. Maurin, T. Verstraelen, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue Thermodynamics 2017Edinburgh, UKWednesday, 6 September, 2017 Read more about Thermodynamic approach to accurately determine pressure profiles for metal-organic frameworks to assess their flexibility and loss of crystallinity