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electrochemical regeneration. This PhD project will develop next-generation computational tools to accelerate the discovery of such materials. The successful candidate will work at the interface of chemical
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nm) and over long timescales (10-100ps). To meet these objectives this project aims to further develop our recently introduced non-adiabatic molecular dynamics simulation method, termed excitonic state
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manufacturing process from early development stages. This PhD project aims to develop computational tools that incorporate late-stage development into early-stage process and reaction optimisation. The project
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