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We have 4 Computational Chemistry (operation) PhD Projects, Programmes & Scholarships

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Computational Chemistry (operation) PhD Projects, Programmes & Scholarships

We have 4 Computational Chemistry (operation) PhD Projects, Programmes & Scholarships

Large-scale electrochemical DFT models of a PEM hydrogen fuel cell

Supervisory Team: Chris-Kriton Skylaris (90%) Andrea Russell (10%). Project description. Proton-exchange Membrane (PEM) hydrogen fuel cells are an emerging technology for environmentally sustainable transport and other carbon-neutral energy applications. Read more

Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

Supervisory Team. Chris-Kriton Skylaris (80%) Jeremy Frey (20%). Project Description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more

Thermo-electric materials for tab cooling of advanced batteries

Supervisory Team.   Prof Richard Wills, Dr Iris Nandhakumar. Project description. Effective thermal management of lithium-based battery systems is important for optimising cell efficiency, reducing cell degradation and preventing catastrophic failure. Read more
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