Publications
Recent A1 Articles Published online
Super-Oxidizing Covalent Triazine Framework Electrocatalyst for Two-Electron Water Oxidation to H2O2 , , Angewandte Chemie int. Ed. , Published online , 2023
The significance of fluctuating charges for molecular polarizability and dispersion coefficients , , The Journal of Chemical Physics , Published online , 2023
On the Prediction of Spectroscopic Fingerprints of Co2+ Complexes Relevant for the ZIF Nucleation Process , , Inorganic Chemistry , Published online , 2023
Most recent A1 Publications
2023
Elucidating the Impact of Chemical Variability on the Nano-Structure of Fe-Rich Slags , , Journal of Non-Crystalline Solids , 618, 122541 , 2023 , IF: 3.5 , Q1
The Electrophilic Aromatic Bromination of Benzenes: Mechanistic and Regioselective Insights from Density Functional Theory , , Physical Chemistry Chemical Physics (PCCP) , 25, 28581 - 28594 , 2023
MOFs for long-term gas storage: Exploiting kinetic trapping in ZIF-8 for on-demand and stimuli-controlled gas release , , Inorganic Chemistry Frontiers , 10, 16, 4763-4772 , 2023 , IF: 7.0 , 3/46 [Q1]
Most recent talks
Honorary lectureship
New Frontiers in Modeling Nanoporous Materials for Catalysis, Diffusion and Adsorption , , The Dr. Karl Wamsler Innovation Award Symposium 2023 – Advancing Catalysis Science , Garching bei München (Germany) , Thu, 09/11/2023 Talk
Strain engineering to understand and amplify anomalous behaviour in framework materials for energy applications , , CChESMate-2p , Ghent, Belgium , Wed, 08/11/2023 Invited talk
Challenges in modelling realistic metal-organic frameworks at operating conditions , , Nobel Symposium NS193: Metal-organic frameworks – Fundamental science enabling transformative materials , Karlskoga, Sweden , Tue, 19/09/2023 to Fri, 22/09/2023 Most recent conference posters
Molecular simulation of alkane and alkene diffusion in nanoporous membranes to allow for an energy-efficient separation. , , Fears 2022 , Gent + Belgium , Fri, 28/10/2022
A Reactive Force Field for Alumina Systems , , , Blankenberge (Belgium) , Wed, 12/10/2022 to Fri, 14/10/2022
Atomistic insight in the flexibility and heat transport properties of MIL-53(Al) for water-adsorption applications , , MOF2022 , Dresden, Germany , Mon, 05/09/2022 to Tue, 06/09/2022