Applications are invited for a research associate position in the Theory and Simulation of Materials groups of Dr Arash Mostofi and Professor Peter Haynes in the Departments of Materials and Physics at Imperial College London.

We are seeking an outstanding individual with a strong record in first-principles electronic structure calculations to work with us on the development and application of multi-level quantum embedding in the ONETEP code (www.onetep.org) for large-scale first-principles electronic structure calculations. The post is for a fixed term of 2 years and the start date is somewhat flexible but should be between July and December 2017.

The project is the Flagship of the CCP9 (www.ccp9.ac.uk) materials simulation community, the overarching aim of which is to expand the regime of applicability of the ONETEP code from the ground state to excited states of systems in complex environments. This will be done via more accurate approximations for electron-electron interactions, seamless embedding of different levels of theory for describing complex materials systems, and the ability to describe the dynamics of systems in excited states.

This post will be based at Imperial College London, and there is a linked position funded via the same project available at the University of Warwick: candidates interested in both positions should contact Nicholas Hine ([email protected]) and Arash Mostofi ([email protected]) to indicate their intention to apply for both.

Candidates should hold, or be about to obtain, a PhD (or equivalent) in theoretical or computational physical science. They should possess a solid background in density-functional theory and previous experience in first principles calculations on molecular or materials systems. Experience in the development of high performance computing codes on large-scale parallel architectures, and the development and/or application of quantum embedding methods is highly desirable.

The closing date for applications is 9th June 2017.

For further details of the position and how to apply please go to http://www3.imperial.ac.uk/employment, select “Job Search” and enter the job reference no EN20170130LE.

For informal enquiries, please contact Arash Mostofi by email ([email protected]).