Molecular modelling capability boosted in ISI

The Institute for Sustainability and Innovation has boosted its molecular modelling capability with the employment of post-doctoral research fellow Dr Matthew Stewart.

His skill in this area will strengthen the capabilities of ISI by supporting current research projects in water quality and treatment. The Institute is now able to gather detailed molecular information and simulations to identify chemical mechanisms occurring in industrial processes.

Matt's expertise is specifically in the reconciliation of experimental and theoretical data to produce models that are indicative of actual, lab-scale behaviours and outcomes. Matt has experience in both Molecular Mechanics and Quantum Chemistry calculations, allowing for the detailed study of single molecules through to systems of millions of atoms in size.

Thanks to this new appointment ISI will now be able to study systems such as membrane-foulant interactions, conformation change of proteins, heavy metal chemistries, formation of disinfection by-products, by-products from advanced oxidation processes, antioxidant behaviours and reaction mechanisms.

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