Development and application of classical Density Functional Theory for the accurate description of adsorption and separation properties of gasses in nanoporous materials

A multiscale modeling approach to design strain-engineered metal halide perovskites for opto-electronic applications

Computational study of membrane transport proteins

Modeling transport properties of C2/C3 species in nanostructured materials for separation

Modelling adsorption properties of C2/C3 species in nano-structured materials for separation

BOF-TT-professorship in computational structural characterisation at the nanoscale

Computational model development to design new sustainable nanoporous materials for storage, separation and sensing applications

Computational structural characterisation on the nanoscale

Moonrise: Hybrid membrane/sorption technology for more efficient C2 and C3 separations

Porous Networks for Gas Sensing

Computational investigation and targeting of the choline import system in pathogenic bacteria as a promising drug target.

BOF-TT-professorship in computational structural characterisation at the nanoscale

Development of a generic methodology for the derivation of transferable force fields for metal organic frameworks

Development of thermodynamic models to describe stimuli-responsive behavior of soft porous crystals induced by a single trigger or by a combination of multiple correlated stimuli