S.M.J. Rogge
Mechanical (in)stability at increased temperature: why do nanopores breathe?
Investigating the impact of localized defects on the thermal and mechanical properties of ZIF-8
Layers under stress: Derivation of stress algorithms to control the interlayer shearing in 2D covalent organic frameworks
Extracting kinetic information from advanced computer simulations to investigate the diffusion of protic molecules through small-pore zeolites
From a dense to a sponge-like structure at high pressures: unravelling the counter-intuitive behaviour of zinc cyanide
Exploring the feasibility of coarse-graining to describe the attractive thermal and mechanical phenomena of flexible and defected metal-organic frameworks
The development of advanced computer simulations to accurately predict the acidity of nanoporous materials
Modelling phase transitions in temperature-responsive flexible metal-organic frameworks: the delicate balance between dispersion and entropy
ISBN/ISSN:
Talk
Conference / event / venue
From Electrons to Phase Transitions
Vienna, Austria
Wednesday, 4 April, 2018 to Friday, 6 April, 2018
Influence of a confined methanol solvent on the reactivity of active sites in UiO-66
ISBN/ISSN:
Poster
Conference / event / venue
NCCC XIX
Noordwijkerhout,The Netherlands
Monday, 5 March, 2018 to Wednesday, 7 March, 2018