PhD in Computational Condensed Matter

Queens University Belfast

Closing date: Friday 31 January 2020

Applications are invited for a PhD position at the group of Dr Elton Santos at Queen's University, to work in the area of 2D materials and energy efficient processes. The group has been actively working on the forefront of several research topics including organic-inorganic perovskites, strongly correlated phenomena, including magnetism and spin-properties, and light-matter interactions. See some of the research activities at our group website for further details.

The research focus will be on simulations and method development on advanced approaches on the electronic, and optical properties of layered materials, such as transition metal dichalcogenides, and their van der Waals heterostructures. The theory will guide, complement and support the experimental work performed at several world-class groups including the National Graphene Institute (Manchester), Columbia University (New York), Deakin University (Australia), and Cornell University (New York). Several trips and research visits to these labs will be a crucial part of the project.

Access to first-class computational facilities at Queen's University, University College London (Thomas supercomputer) and the Cirrus UK National Tier-2 HPC Service at EPCC ( funded by the University of Edinburgh and EPSRC will be available during this project.      

Qualifications and skills

We are looking for a motivated candidate with a solid background in condensed matter physics, interested in computational methods, materials informatics, with good command of written and spoken English. Previous experience is necessary on:

  • Open-source first-principle methods (e.g. VASP, Quantum-Espresso, etc.).
  • Coding languages (e.g. Fortran, C/C++, Python, etc.)
  • Background in electronic structure methods (e.g. DFT, Molecular Dynamics)


The position is open to applicants of any nationality and covers all applicable University fees. The start date is October 2020 or shortly after.  

How to apply

Interested applicants should use the following link including: 1) up-to-date CV, including publication list; 2) a letter of motivation; and 3) the names and contact details of at least three academic referees. 

Informal queries to Dr Elton Santos at

Closing date: 31st January 2020


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