Metal-organic frameworks (MOFs) are promising materials for adsorption-based water treatment technologies due to their extremely high surface area, the possibility to tune their selectivity by functionalizing their surface, and the possibility to alter their pore size by choosing different building units. We use computational chemistry to aid the development of new materials based on MOFs for the adsorptive removal of heavy metals from water.

In this project we work in collaboration with conservation scientists in Italy to develop improved protective treatments for marble based on experimental and computational insights.

CO₂ conversion into liquid fuels is a promising avenue towards efficient electrical energy storage and at the same time reduction of CO₂ concentration in our atmosphere. Transition metal complexes have been shown to be capable electrocatalysts for the conversion of CO₂ into useful products but improvement is still needed. This project uses computational tools to design improved catalysts.

The conversion of plastic waste into monomers and other useful chemicals is a promising avenue towards addressing the plastic waste issue and reducing the use of non-renewable resources to generate such products. Recent experimental studies have shown that transition metal catalysts can be used to perform this conversion at moderate temperatures and with good product control. This project uses computational tools to design improved catalysts.