Theory and simulation of thermoelectric materials near structural phase transitions
1 postdoctoral 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:
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.
Postdoctoral applicants must hold a PhD in Physics or a related discipline before the start of the contract. They should have experience in material modelling and computer code development. Preference will be given to candidates with strong background in at least one of the following areas: density functional theory, GW, molecular dynamics, and/or modelling of electronic and thermal transport properties of materials. Short descriptions of the projects the applicants have worked on and the codes they have developed should be included in the application.