I am a computational Chemist working at the Daresbury Laboratory. My work is focused on building simplified representations of complex molecular systems using coarse-grained modelling, including both electronic and atomic scales. Examples include development electronic coarse-grained methods based on quantum Drude model and bottom-up deriving of mesoscopic simulation parameters for hydrodynamically-consistent dissipative particle dynamics (DPD). In my work I am using high performance computing facilities at STFC and National Supercomputing Service Archer2.
Before joining STFC in 2017 I was a Principal Research Scientist at National Physical Laboratory (Teddington), and before that – a Lecturer in Physical Chemistry at King's College London. I am a Chartered Chemist and a Fellow of the Royal Society of Chemistry.
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