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PhD position on Prediction of Structural and Opt ... (No replies)

ditommas
8 years ago
ditommas 8 years ago

Queen Mary University of London (QMUL) is proud to be working in partnership with the Commonwealth Scholarship Commission in the UK to offer a wide range of scholarships for postgraduate study at PhD level. In 2017-18, QMUL will be hosting an unprecedented number of Commonwealth Scholars from across the globe.

Applications are invited for a three-year funded PhD studentship starting in October 2017 under the supervision of Dr Devis Di Tommaso and Dr Rachel Crespo-Otero.

The research groups of Dr Di Tommaso and Dr Crespo-Otero have complementary expertise on the development and application of atomistic simulations, from photochemistry, to organic crystals, amorphous materials and photocatalysis.

http://webspace.qmul.ac.uk/dditommaso/

https://crespootero.wordpress.com/

The student working on this project will develop novel theoretical methods to characterize the structure and compute the photophysical properties of organic amorphous nanoparticles. The student will receive training in a wide range of molecular modelling techniques, including Density Functional Theory, Time-Dependent DFT, Molecular Dynamics, Non-Adiabatic Dynamics, and in the design and development of modular scientific codes.

Work will be carried out in the Theoretical and Computational Chemistry Lab housed in the state-of-the-art Joseph Priestley building, where the student will be equipped with a high-performance workstation and given access to institutional and national supercomputing facilities.

The QMUL materials modelling community is also part of the Thomas Young Centre (TYC) for the Theory and Simulation of Materials (http://www.thomasyoungcentre.org), which brings together around 100 research groups from four London Colleges (Queen Mary, Imperial College, King’s College and University College). The TYC represents arguably the highest concentration of computational materials scientists anywhere in Europe, and provides opportunities for collaboration, networking and training.

Eligibility: Applications are invited from outstanding candidates with commonwealth citizenship from one of the following countries: Australia, The Bahamas, Brunei Darussalam, Canada, Cyprus, Malta, and New Zealand. The QMUL Commonwealth Scholarships covers a full stipend (paid at the UKVI rate) and full tuition fees.

Applicants holding or expecting to gain a degree in Chemistry, Physics or Materials Science, and an interest in computational research should contact Dr Di Tommaso ([email protected]) and Dr Rachel Crespo-Otero ([email protected]) by email, along with a CV.




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