Dr Jelf’s research focuses on computational approaches towards enabling functional molecular material discovery. Specifically, her group investigates predicting these materials’ assembly as individual units and how this then affects self-assembly and properties. They aim to apply this to large scale computational screening of precursor libraries, creating databases of viable, functional materials. Our strong ongoing links with synthetic collaborators allow synthetic realisation of the predictions. They focus on porous molecular materials, organic electronics and membrane materials.
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