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PhD Position: Computational Solid State Chemistr ... (No replies)

msd30
7 years ago
msd30 7 years ago

Supervisor: Dr Matthew Dyer at the University of Liverpool, UK

The student will apply periodic density functional theory (DFT) to a wide variety of proposed and newly discovered inorganic materials. DFT calculations will be used to compute the chemical stability of candidate new materials, ensuring that they are more stable than competing phases and can therefore be synthesized by experimental collaborators. The student will also compute properties important for potential applications of the materials, such as the electronic structure and transport barriers. Research will include materials discovery in the fields of batteries, thermoelectrics, and photocatalysis, working closely with experimental groups within the Leverhulme Research Centre for Functional Material Design.

Eligibility

The award is primarily available to students resident in the UK/EU and will pay full tuition fees and a maintenance grant for 3.5 years (£14,296 pa in 2016/17).

Non-EU nationals are not eligible for this position and applications from non-EU candidates will not be considered unless you have your own funding.

Applications are welcomed from candidates with a strong undergraduate background in theoretical and computational solid state chemistry, atomistic materials modelling or condensed matter physics. Informal enquiries should be addressed to Dr Matthew Dyer.

Applications can be made through this website.




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Ab initio (from electronic structure) calculation of complex processes in materials