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Postdoctoral Researcher in Computational Solid-State Chemistry
Whiteknights Reading UK

Job reference: SRF33501

Location: Whiteknights Reading UK

Closing date: 23/09/2020

Job live date: 26/08/2020

Salary: £30,942 - £35,845 per annum

Employment type: AR-Research

Department: School of Chemistry Food & Pharmacy

Division: Chemistry

Hours per week: Full time

Employment Basis/Type: Fixed term up to 16 months

Applications are invited for a Postdoctoral Researcher to join a project to investigate materials for thermoelectric energy harvesting. The project is funded through the EPSRC Global Challenges Research Fund initiative and seeks to develop new solid-state materials for the extraction of electrical power from traditional Indian cookstoves (chulhas). The project will focus on new mixed-metal chalcogenides related to copper sulfide minerals that are abundant in India. 

The Postdoctoral Researcher will be responsible for the computer simulation of the thermoelectric behaviour of the materials, including the calculation of electron and phonon structure using density functional theory, and the estimation of electron and phonon transport coefficients using Boltzmann transport theory. In addition to using local computing resources at the University of Reading, the researcher will perform simulations at the Tier 1 national supercomputer facility ARCHER2 (via membership of the UK HPC Materials Chemistry Consortium), and the Tier 2 facility Young (via membership of the Materials and Molecular Modelling Hub, which the University of Reading has recently joined). 

The successful applicant will join the Materials Theory Group of Dr Ricardo Grau-Crespo, and will work closely with the experimental Solid-State Chemistry Group led by Prof Anthony Powell, who is the Principal Investigator of the project, and Dr Paz Vaqueiro. The project will be carried in a multi-institutional team, involving collaboration with scientists at the University of Manchester (Prof. Robert Freer) and at the Jawaharlal Nehru Centre for Advanced Scientific Research, India (Prof. Kanishka Biswas and Prof. Umesh Waghmare).  

This is a full-time, fixed-term position of up to 16 months duration. 

You will:
•    hold, or be near the completion of, a PhD in Chemistry, Physics or a related discipline; 
•    have relevant experience in computational chemistry, physics, or materials science; 
•    have an good publication track record; 
•    be strongly motivated with good organisational skills;
•    have good verbal, communication and interpersonal skills;
•    be able to work both independently and part of a research team.

Interview Date: TBC

Informal contact details

Alternative informal contact details

Contact role:

Principal Investigator

Contact role:


Contact name:

Prof. Anthony V Powell

Contact name:

Dr Ricardo Grau-Crespo

Contact email:

Contact email:

​​​​​​​The University is committed to having a diverse and inclusive workforce, supports the gender equality Athena SWAN Charter and the Race Equality Charter, and is a Diversity Champion for Stonewall, the leading LGBT+ rights organisation. Applications for job-share, part-time and flexible working arrangements are welcomed and will be considered in line with business needs.


The closing date for this job has now passed.


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