ProfessorSarah Masters

Sarah’s research programme is centred on advanced materials modelling and molecular-level structural investigation. Her expertise encompasses molecular structure determination through high-precision gas-phase spectroscopy and gas electron diffraction, integrated with quantum chemical methods. By coupling experimental measurements with computational chemistry, she elucidates reaction mechanisms, energetics, and kinetic pathways in complex molecular and materials systems.

Her work applies these approaches to critical challenges in clean energy science, including next-generation energy storage devices, hydrogen storage materials, hydrogen release pathways, and metal-free nitrogen reduction mechanisms for sustainable catalysis. Through this combined modelling–experiment framework, she develops mechanistic insight that informs rational materials design.

She is committed to advancing multimodal data analysis pipelines, structural characterisation methodologies, and predictive modelling frameworks that accelerate materials discovery and optimisation. Her research contributes to the development of robust, data-driven strategies that underpin innovation in clean energy technologies and sustainable manufacturing systems.