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PhD Position: Computational Materials Discovery (No replies)
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Supervisors: Prof Matt Rosseinsky and Dr Matthew Dyer
This is an exciting opportunity to join a world leading team of computational and experimental material chemists working together in the discovery of new materials. The student will be part of the £8.6 million EPSRC Programme Grant in Integration of Computation and Experiment for Accelerated Materials Discovery and based in the Materials Innovation Factory at the University of Liverpool, UK. The student will use atomistic calculations (both density functional theory and classical potential based), alongside newly developed materials discovery software to guide and accelerate the synthesis of novel inorganic compounds. As well as obtaining knowledge and experience in these computational techniques, the student will develop skills in teamwork and scientific communication as computational and experimental researchers within the team are expected to work together in a close relationship. Applications are welcomed from candidates with a strong undergraduate background in theoretical and computational solid state chemistry, atomistic materials modelling or condensed matter physics.
Supporting Information
The inorganic materials chemistry group, led by Prof Rosseinsky at the University of Liverpool, focusses its research on the discovery of new solid inorganic compounds. Recently, the use of computational materials chemistry has accelerated this materials discovery process, leading to the synthesis of a range of novel metal oxides with a variety of functional properties1–5. These successes have shown that the process of computer aided materials discovery relies on a close working relationship between computational and experimental researchers within the group, which is recognized in the recently awarded EPSRC Programme Grant in Integration of Computation and Experiment for Accelerated Materials Discovery, and the decision to bring together theoretical and experimental researchers within the Materials Innovation Factory and the Leverhulme Research Centre for Functional Materials Design at the University of Liverpool. The successful candidate will participate in this relationship, using their computational skills in close collaboration with the experimental excellence present within the research group, to accelerate the discovery of new materials.
References
1M S Dyer, C Collins, D Hodgeman, P A Chater, A Demont, S Romani, R Sayers, M F Thomas, J B Claridge, G R Darling, & M J Rosseinsky, Computationally Assisted Identification of Functional Inorganic Materials, Science 340 (2013) 847–852
2J Alaria, P Borisov, M S Dyer, T D Manning, S Lepadatu, M G Cain, E D Mishina, N E Sherstyuk, N A Ilyin, J Hadermann, D Lederman, J B Claridge, & M J Rosseinsky, Engineered spatial inversion symmetry breaking in an oxide heterostructure built from isosymmetric room-temperature magnetically ordered components, Chem. Sci. 5 (2014) 1599–1610
3C Collins, M S Dyer, A Demont, P A Chater, M F Thomas, G R Darling, J B Claridge, & M J Rosseinsky, Computational prediction and experimental confirmation of B-site doping in YBa2Fe3O8, Chem. Sci. 5 (2014) 1493–1505
4L Enciso-Maldonado, M S Dyer, M D Jones, M Li, J L Payne, M J Pitcher, M K Omir, J B Claridge, F Blanc, & M J Rosseinsky, Computational identification and experimental realisation of lithium vacancy introduction into the olivine LiMgPO4, Chem. Mater. 27 (2015) 2074–2091
5M J Pitcher, P Mandal, M S Dyer, J Alaria, P Borisov, H Niu, J B Claridge, & M J Rosseinsky, Tilt engineering of spontaneous polarization and magnetization above 300 K in a bulk layered perovskite, Science 347 (2015) 420–424
EPSRC eligibility
Applications from candidates meeting the eligibility requirements of the EPSRC are welcome – please refer to the EPSRC website.
The award will pay full tuition fees and a maintenance grant for 3.5 years. (£14,296pa in 2016/17).
The funding for this position may be a University of Liverpool GTA (flexibly allocated i.e. not specified by project at this stage). The details of this are below – we do however accept applications from international students and can appoint on a non-GTA contract.
GTA eligibility (EU students only)
Depending on the successful applicant (EU or non-EU) this studentship would include a commitment to work up to 144 hours per academic year to help with teaching-related activities in modules currently taught in the Department of Chemistry, as assigned by the Head of Department or his representative.
The successful candidate should have, or expect to have, at least a 2:1 degree or equivalent in Chemistry. Applications should be made as soon as possible. Informal enquiries should be addressed to Professor Rosseinsky’s PA, ([email protected]).
Applications can be made through this website.