Research Associate in in First-Principles Design of Active Materials

The post focuses on using Density Functional Theory (DFT), molecular dynamics, dynamics mean field theory (DMFT), and/or Quantum Monte Carlo (QMC) to design and predict properties of new active materials that interconvert energy, such as ferroelectrics, multiferroics, non-linear optics materials, and photovoltaics.


The post is funded by the European Research Council Advanced Grant ToMCaT (Theory of Mantle, Core, and Technological Materials, for two years in the first instance. This position is in collaboration with the Thomas Young Centre ( and the London Centre for Nanotechnology (

Key Requirements

Applicants will have a PhD, or thesis submitted and subject to examination, in a physical science. Experience with first-principles density functional theory methods, community electronic structure codes such as ABINIT or quantum espresso, high performance computing, crystalline materials structures and programme development and debugging in a parallel Linux cluster environment are essential. Experience with ferroelectrics and/or multiferroics and photovoltaics/electrocaloric materials, experience making and testing pseudopotentials, experience of programming in C++, f90 and python are desirable.

Further Details

A job description and person specification can be accessed at the bottom of this page.

To apply for the vacancy please click on the ‘Apply Now’ button below.

If you have any queries regarding the vacancy or the application process, please contact Prof. Ronald Cohen,

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Closing Date
12 Nov 2014

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Comment by Mohamed el Amine MOUSSA on October 24, 2014 at 11:56pm
Thank you for the information

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