Insights in the Behaviour of MOFs through Molecular Modeling: from Force Field Derivation to Thermodynamic Analysis
ISBN/ISSN:
Talk
Conference / event / venue
DAMP
Montpellier, France
Thursday, 17 November, 2016
S.M.J. Rogge
On the importance of NQEs in modelling the structural properties and thermal expansion of MOF-5
ISBN/ISSN:
Poster
Conference / event / venue
MolSim 2018
Amsterdam, The Netherlands
Thursday, 11 January, 2018
Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach
ISBN/ISSN:
Poster
Conference / event / venue
MolSim 2018
Amsterdam, The Netherlands
Thursday, 11 January, 2018
Thermodynamic Insight into Stimuli-Responsive Behavior of Soft Porous Crystals
ISBN/ISSN:
Talk
Conference / event / venue
EuroMOF 2017
Delft, The Netherlands
Tuesday, 31 October, 2017
Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach
ISBN/ISSN:
Poster
Conference / event / venue
EUROMOF 2017
Delft, The Netherlands
Monday, 30 October, 2017
On the importance of nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5
ISBN/ISSN:
Poster
Conference / event / venue
EUROMOF 2017
Delft, The Netherlands
Monday, 30 October, 2017
Assessing the flexibility and loss of crystallinity in metal-organic frameworks from a thermodynamic point of view
ISBN/ISSN:
Poster
Conference / event / venue
EUROMOF 2017
Delft, The Netherlands
Monday, 30 October, 2017
The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks
Master of Science in Engineering Physics
2018
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
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