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PhD Studentship in computational Materials Scien ... (No replies)

gibo
7 years ago
gibo 7 years ago

Theory & computational screening of novel sustainable ferromagnets

Applications are invited to join the Stephenson Institute for Renewable Energy, Department of Chemistry, University of Liverpool (UK) for a fully-funded 3.5-year PhD project on theory and computational screening of novel sustainable ferromagnets.

As recently observed experimentally, electronic hybridisation between a metal substrate and an organic material can be used to promote magnetism and ferromagnetic ordering between originally non-magnetic components or enhance the magnetic descriptors of originally ferromagnetic substrates. The phenomenon is appealing because control and enhancement of magnetism in cheap and non-toxic materials such as light transition metals and organic semiconductors may provide more eco-friendly and sustainable alternatives to conventional magnetic materials and devices.

By interplay between Density Functional Theory, micro-kinetics modelling, and parallel experimental investigations at the Department of Physics, University of Leeds (UK), the studentship aims to understand at the atomistic levels the fundamentals of the phenomenon towards its optimisation and maximisation, sustaining rational development of a new class of eco-friendly light permanent magnets for information storage and processing and, potentially, turbine power generation.

The successful applicant will join an international team with members in Liverpool (UK) and at the Beijing Computational Science Research Center (China), with possibilities of secondment in China. The theoretical research will benefit from parallel experimental investigations to be carried out at the Department of Physics of the University of Leeds (Céspedes group).

Imaginative and highly motivated candidates are encouraged to apply.  A degree (1st or 2.1st) in materials science, physics, chemistry or related subjects is required. Previous experience with application of Density Functional Theory, programming, or development of micro-kinetics models would be an advantage.

 
The position is available from 1st October 2018 (some flexibility is possible). The studentship will cover full tuition fees and a maintenance grant for 3.5 years (currently £14,553 p.a.).
 
EPSRC eligibility. The studentship is primarily available to students resident in the UK. However, applications from candidates meeting the eligibility requirements of the EPSRC are welcome – please refer to the EPSRC website: http://www.epsrc.ac.uk/skills/students/help/eligibility/
 
For informal enquiries about this position please contact Dr. Gilberto Teobaldi ( [email protected] )

To apply, please send a cover letter explaining your interest in the research field (or theory and computation research in general) and your suitability for the position, a full CV (with degree exam marks), and contact details of at least two selected referees to Dr. Gilberto Teobaldi ( [email protected] )

Please submit your application as soon as possible. Applicants will be considered until the position is filled.

 




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