The Theory and Simulation of Condensed Matter (TSCM) group in the Physics Department of King's College London invites applications for a postdoctoral position in theory and simulation of lattice dynamical properties, namely phonon frequencies and electron-phonon coupling, within the Quasiparticle Self-Consistent GW Approximation (QSGW).

There is clear evidence that standard DFT significantly underestimates electron-phonon coupling in many materials, including even simple sp-bonded compounds, such as diamond or graphene. This research effort aims at developing an ab initio methodology able to predict accurately and on an equal footing quasiparticles and phonons as well as their interaction. This is of crucial importance in modelling energy dissipation and transport phenomena in nano-electronics and energy conversion technologies.

The postdoc is part of the flagship CCP9 project (www.ccp9.ac.uk), a collaboration involving Prof. van Schilfgaarde and Dr Nicola Bonini at KCL, Dr. Myrta Gruening at Queen's University Belfast, and Dr. Martin Lueders at Daresbury labs. The research focus will be on methodological developments, involving code implementation and testing. Some portion (about 20%) of the postdoc's time will be dedicated to supporting other CCP9 activities.

We will give special attention to candidates whose research interests show links to advanced electronic structure methods and also lattice dynamical properties. The candidate must show an exceptional ability for computational physics. The post will be offered for three years, and will be based on the Strand Campus in London.

Please apply through this web page:
https://www.hirewire.co.uk/HE/1061247/MS_JobDetails.aspx?JobID=56728

The closing date is April 30.

We also suggest you directly contact one of the investigators: [email protected] or [email protected]