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
S.M.J. Rogge
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
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
Master of Science in Engineering Physics
2018
A thermodynamic characterization of mechanical, thermal and adsorption properties of flexible metal-organic frameworks
ISBN/ISSN:
Talk
Conference / event / venue
EUROMAT 2017
Thessaloniki, Greece
Sunday, 17 September, 2017 to Friday, 22 September, 2017
Pages
