Research Fellow (109259-0624)

Location: University of Warwick Campus, Coventry

Duration: Ending 30 September 2027

About the Role   

For informal enquiries, please contact Neophytos Neophytou at N.Neophytou@warwick.ac.uk. 

We are seeking to appoint a Research Fellow for the ERC Consolidator Grant COMPLEXthermMA Project, focused on the Computational Engineering of Thermoelectric Materials with Complex Electronic Structures, led by Prof. Neophytos Neophytou.

This role involves developing advanced holistic software to investigate the thermoelectric transport properties of novel materials and nanostructures. The work includes enhancing and integrating methods such as Density Function Theory (DFT), Density Functional Perturbation Theory (DFPT), Boltzmann Transport simulations (BTE), Monte Carlo methods, and non-equilibrium Green’s function methods into a comprehensive simulation framework.

Collaboration with other PDRAs, PhD students, and theoretical and experimental teams is essential.

Responsibilities include developing software for extracting thermoelectric power factors, coupling DFT and DFPT extracted scattering rates to Boltzmann Transport codes, linking bulk material properties to nanostructure codes, and exploring the thermoelectric potential of complex materials.

You will undertake independent and collaborative research and will be expected to write up your research for publication and present it in conferences. You will be expected to deal with any management/administration problems that may arise from the project and produce and present regular project reports ensuring that the project objectives and deadlines are met.  

About You   

We are seeking a highly qualified individual with a minimum 2.1 honours degree in a relevant subject and a PhD (or near completion) in Physics, Physical Chemistry, Materials, Computer Science, or Electrical Engineering. The ideal candidate will have strong experience in software development, materials physics, and electronic transport simulations, including DFT and DFPT.

Proficiency in programming languages such as Matlab, Python, Fortran, and C/C++ is advantageous, as is knowledge of optimization, machine learning, and inverse design techniques.

A developing research profile with the ability to publish high-quality research is essential. Candidates should have experience performing DFT calculations using standard codes, large-scale electronic transport simulations with DFT bandstructures, and proven scientific software development skills. Experience with Quantum Espresso, Wannier codes, EPW, CASTEP, Wien2k, BoltzTrap, Phonopy, Monte Carlo, and NEGF is desirable.

If you have not yet been awarded your PhD but are near submission or have recently submitted your PhD, any offers of employment will be made as Research Assistant on level 5 of the University grade structure. Upon successful award of your PhD and evidence of this fact, you will be promoted to Research Fellow on the first point of the level 6 of the University grade structure. 

CLOSING DATE: Wednesday 03 July 2024 at 11.45 pm

Full details of the duties and selection criteria for this role can be found in the vacancy advert on the University of Warwick's jobs pages. You will be routed to this when you click on the Apply button.

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