Structure and Dynamics Group
Functionalising materials by smart design and structural rationalization

Our overarching goal is to develop new materials for sustainable energy applications via molecular engineering. This expressly notions product design at the molecular scale, embracing rational molecular design concepts to tailor a material to meet a specific need in device technology. Our “design-to-device” approach uses a wide variety of experimental, computational and data science techniques to realize this goal. This includes X–ray and neutron diffraction and spectroscopy, electrochemistry, density-functional theory and large-scale data-mining.