Recent Publication in Nature Communications!
In this study, we created a machine learning-based force field and used it to examine the diffusion of [Cu(NH3)2]+ complexes within Cu-Chabazite, enabling simulations over…
“The 3th CHASS Colloquium at TU Darmstadt: Advancing Multiscale Modelling in Exhaust Catalysts and Beyond, November 13, 2024”
Last Wednesday, we had the privilege of hosting a colloquium as part of the ITN CHASS Project. The event centered on advancing multiscale modelling approaches…
“The 7th CHASS Gathering in Hanau, – November 14, 2024”
The 7th CHASS meeting took place at Umicore AG & Co in Hanau, Germany, bringing together PhD students who showcased their ongoing research, sparking productive…
CHASS Colloquium on Multiscale Modelling of Chemical Reactors: Exhaust Catalysts and Beyond
The CHASS group is organizing a colloquium on multiscale modelling of chemical reactors, to take place at the Technical University of Darmstadt, Germany. Prof. Mauro Bracconi…
CHASS is on the Research Features website “Keeping catalysts alive with the CHASS project”
The CHASS project tackles the harmful nitrogen oxides emissions from heavy-duty diesel vehicles by focusing on improving copper-based catalysts. These catalysts, crucial for reducing emissions,…
Our Recent review in ChemCatChem! “The [(NH3)4Cu2O2]2+_Peroxo Complex as the Key Intermediate for NH3‐SCR Activity and Deactivation of Cu‐CHA Catalysts”
Our latest review in ChemCatChem examines the significant role of the [(NH3)4Cu2O2]2±peroxo complex in NH3-SCR processes using Cu-CHA catalysts at low temperatures (150–300°C). This complex,…