Norwich Research Park Featured PhD Programmes
Imperial College London Featured PhD Programmes
University of Cambridge Featured PhD Programmes

Computational Chemistry PhD Research Projects

We have 122 Computational Chemistry PhD Research Projects

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We have 122 Computational Chemistry PhD Research Projects

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Atomistic and multiscale simulations of next generation energy storage systems

Supervisory Team. Professor Chris-Kriton Skylaris (80%) and Professor Denis Kramer (20%). Project description. Li-ion batteries have a vast range of applications from mobile phones and laptops to electric vehicles. Read more

Molecular Modelling

Applications are now open for a fully funded PhD project in Molecular Modelling at the Bernal Institute at University of Limerick in the south west of Ireland. Read more

PhD in Catalysis

Cardiff Catalysis Institute (CCI) – Cardiff University (UK). Cardiff Catalysis Institute (CCI). is a premier academic catalysis facility in the UK, and a leading heterogeneous catalysis institute with 45 staff scientists. Read more

Tuned Iridium Catalysts to Deliver an Array of Synthetic Efficiency and Selectivity

A fully-funded, industry-linked, PhD Studentship is available in the Department of Pure and Applied Chemistry at the University of Strathclyde, Glasgow, under the collaborative supervision of Professor William J. Read more

A step change in the modelling of enzymatic catalysis

A deep understanding of enzymatic processes requires an atomic-level description, which is often beyond experimental techniques but achievable through synergy with computational chemistry. Read more

Modelling photosynthetic water oxidation

This project aims use molecular modelling methods and spectroscopy to understand how the protein environment of electron transfer cofactors in photosysnthesis and in particular how the water oxidising complex, facilitates electron transfer and also helps stabilise these radical species to maintain a charge separated state. Read more

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