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We have 6 Computational Chemistry (adsorption) PhD Projects, Programmes & Scholarships

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Computational Chemistry (adsorption) PhD Projects, Programmes & Scholarships

We have 6 Computational Chemistry (adsorption) PhD Projects, Programmes & Scholarships

Development of NMR Methods for the Study of Dynamics in Solids

One fully funded PhD studentship is available in the area of nuclear magnetic resonance (NMR) of solids. The position is available for 42-months starting in October 2024. Read more

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

Pushing the scale boundaries for degradation simulations of industrially relevant materials

Supervisory Team:  Chris-Kriton Skylaris. Project description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more
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