DFT-assisted detailed kinetic model development of rare events during radical polymerization processes

First principles supported operando catalyst characterization for deep catalysis understanding

Computer-aided kinetic modeling of supercritical processes based on first principles

Enhancing the propylene yield and catalyst stability in methanol-to-olefins conversion by zeolite tailoring and co-feeding strategies

Production of biofuels and chemicals via Ni-Cu catalyzed hydrodeoxygenation of furfural and its aldol condensates

Ab initio based design of heterogeneous Pt bimetal catalysts: hydrogenation of aromatics.

Green butadiene production via hybrid acid-base catalyzed dehydration of 1,3-butanediol