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PhD position in Computational Materials Chemistr ... (No replies)

nhdeleeuw
8 years ago
nhdeleeuw 8 years ago

A PhD studentship is available in the School of Chemistry at Cardiff University, UK, to work with Professor Nora de Leeuw in the field of computational materials chemistry. The studentship will commence on the 1st of October 2016 or as soon as possible thereafter and is open only to applications from EU nationals.

The project aims to develop robust computational models to provide quantitative insight at the atomic level into the structures, physico-chemical and magnetic properties of cobalt and cobalt oxide nano-particles and their catalytic potential. The research will focus on a number of areas: (i) The effect of surfactants on nano-particle growth and sefl-assembly; (ii) Surface oxidation and oxygen diffusion; (iii) The formation of core-shell nano-particles; (iv) Surface reactivity and the effect of the magnetic properties on catalytic pathways and mechanisms.

The computational research carried out in Cardiff University will be closely linked to the work by our experimental collaborators in Paris and Cape Town and the students will have the opportunity to spend time working with colleagues in South Africa as part of a prestigious UK/South Africa PhD exchange programme under the UK Newton initiative.

Eligible candidates should have, or expect to obtain, a degree in Chemistry, Materials Science, Physics, or a closely related discipline. Experience of computational techniques is desirable but not essential as training will be given. Motivated and dedicated students will gain a thorough training in computational chemistry and materials science and be rewarded with a highly stimulating project that will help shape the future of this exciting research field.

Interested applicants should in the first instance send a brief covering letter outlining their motivation and experience for the position, as well as their curriculum vitae and the contact details of at least 2 academic referees to Prof Nora de Leeuw ([email protected]), who may also be contacted for informal enquiries and further information.

Applications will be evaluated on an ongoing basis until the position is filled and applicants should therefore apply as soon as possible.




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