Theory and simulation of thermoelectric materials near structural phase transitions

1 PhD position is available in the Materials Theory Group at the Tyndall National Institute, Cork, Ireland, under the supervision of Dr. Ivana Savic (http://ivanasavic.gitlab.io) and Prof. Stephen Fahy (http://research.ucc.ie/profiles/D006/sfahy). The position is fully funded for up to 4 years and will commence in January 2017 or soon thereafter.

The goal is to develop a range of computational methods to model thermoelectric transport properties of materials near phase transitions. This will involve state-of-the-art electronic structure methods (based on density functional and many body perturbation theory) to describe electronic and vibrational degrees of freedom and their interactions. Simpler tight-binding approaches will also be implemented. Thermoelectric transport processes will be simulated using the Boltzmann transport equation and molecular dynamics simulations. Our recent papers on this topic can be found at:

http://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.104304

http://www.nature.com/articles/ncomms12291

This is a highly collaborative project between the groups at Tyndall and Queen's University Belfast (Prof. Jorge Kohanoff, Dr Myrta Gruening and Dr Tchavdar Todorov) funded by Science Foundation Ireland (Republic of Ireland) and Department of Education and Learning (Northern Ireland). It will also involve collaboration with experimental groups at Tyndall, Ben Gurion University (Israel) and Stanford (USA), working on material synthesis and characterisation, including ultrafast X-ray techniques.

PhD applicants must hold a first class honours degree or Masters in Physics or a related discipline before the start of the studentship. A strong background in solid state physics and interest in material modelling and computer simulation are required, as well as proficiency in English. Short descriptions of the projects the applicants have worked on and the codes they have developed should be included in the application.

Informal enquiries concerning this position can be made to Dr. Ivana Savic ([email protected]) and Prof. Stephen Fahy ([email protected]).

Formal applications for this position can be made via the link below. Please follow the instructions to complete the associated application form, and attach your CV and motivation letter.

http://careers.tyndall.ie/vacancies/2-phd-positions-materials-theory