Structural organisation of water in zirconium-based metal-organic frameworks
ISBN/ISSN:
Poster
Conference / event / venue
MOFSIM2019
Ghent, Belgium
Thursday, 11 April, 2019
S.M.J. Rogge
Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations
ISBN/ISSN:
Poster
Conference / event / venue
MOLSIM2019
Amsterdam, The Netherlands
Thursday, 10 January, 2019
Unraveling the meaning of time in coarse-grained molecular dynamics simulations to study diffusion in heterogeneously disordered MOFs
Investigating the impact of localized defects on the mechanical properties of ZIF-8
Investigating the impact of long-range spatial disorder on the stability of flexible and defective metal-organic frameworks with coarse-grained models
Does water behave as a solvent in confinement? The impact of the framework symmetry and topology of ZIFs
Reliably modeling the mechanical stability of MOFs at increasing length scales to unleash their full industrial potential
ISBN/ISSN:
Talk
Conference / event / venue
MOF2018
Auckland, New Zealand
Sunday, 9 December, 2018 to Thursday, 13 December, 2018
Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks
ISBN/ISSN:
Talk
Conference / event / venue
MOF2018
Auckland, New Zealand
Sunday, 9 December, 2018 to Thursday, 13 December, 2018
Nuclear quantum effects in metal-organic frameworks
ISBN/ISSN:
Poster
Conference / event / venue
Ab initio Modeling in Solid State Chemistry
Torino, Italy
Wednesday, 5 September, 2018
Nuclear quantum effects in metal-organic frameworks
ISBN/ISSN:
Poster
Conference / event / venue
Path Integral Quantum Mechanics: From the Basics to the Latest Developments
Lausanne, Switzerland
Wednesday, 27 June, 2018
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