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Postdoc position (DIFFER, Eindhoven): Computational Energy Materials Research

Responsibilities and tasks The research tasks are highly interdisciplinary and will perfectly line up with emerging research lines and granted projects at …

ongeveer een jaar geleden


Van Vollenhovenlaan, Utrecht, Utrecht
Tijdelijk contract / Tijdelijke opdracht
Uren per week:
40 uur
€ 4237 - € 4237 per maand


Responsibilities and tasks
The research tasks are highly interdisciplinary and will perfectly line up with emerging research lines and granted projects at DIFFER.
• Generate a virtual library of interesting perovskite candidate materials.
• Perform ground and excited state calculations to predict structural and electronic features of candidates.
• Compile calculation data into database.
• Write-up project reports and scientific publications.


In framework of the European Commission funded KEROGREEN project, the CCER group at DIFFER, has a vacancy for a postdoc researcher. KEROGREEN is a multinational project that aims for a novel conversion route to sustainable aviation fuel, synthesized from H2O and CO2, and powered by renewable electricity. The sustainable kerosene emits less soot and no sulphur, therefore it meets future aviation air pollution standards. The conversion is based on plasma driven CO2 dissociation, solid oxide membranes, and Fischer-Tropsch synthesis of kerosene. Synergy between plasma activated species and novel perovskite electrodes used for oxygen separation is expected to increase both the CO productivity and energy efficiency.
Scientific aim
Computational studies to be performed at DIFFER will assist in the development of perovskite materials for the efficient separation of O2 from the plasma gas mixture consisting of CO2, CO, O2, and associated atoms, radicals, ions and electrons. An original aim is to virtually design new perovskite electrodes. Our strategy is to use ground and excited state computations based on ab initio methods to study the performance of variant perovskite materials. The computational work involves generating a virtual library of candidate perovskite systems and performing electronic structure calculations on these newly generated candidates to optimize their structures and to predict the relevant properties. A complementary aim is to study the impact of surface charging, due to plasma and external bias, on the binding interactions of molecular and atomic species with the most promising newly tuned perovskites.


We seek enthusiastic candidates that are willing to work in an international and interdisciplinary team of physicists and chemists. The applicant should have a recent PhD in computational materials science, physics, chemistry or a closely related field and experience in electronic structure calculations using common ab initio software. Preference will be given to candidates with demonstrated experience in database development. Good programming skills (e.g. Python) are essential as well as good verbal and written communication skills in English are mandatory.

NWO-I prefers candidates who have qualifying experience (e.g. as PhD student or postdoctoral researcher) in a scientific research institute abroad.


You will be employed by NWO-I for a fixed period of two years. Your salary will be up to a maximum of 4,237 euro gross per month, depending on your level of experience. The salary is supplemented with a holiday allowance of 8 percent and an end-of-year bonus of 8.33 percent. The conditions of employment of NWO-I are laid down in the Collective Labour Agreement for Research Centres (Cao-Onderzoekinstellingen), more exclusive information is available at this website under Personeelsinformatie (in Dutch) or under Personnel (in English). General information about working at NWO-I can be found in the English part of this website under Personnel. The 'Job interview code' applies to this position.

Additional information

Further information on the vacancy is available through Dr. Süleyman Er, research group website +31 40 333 49 36.


DIFFER is the Dutch Institute for Fundamental Energy Research, one of the nine research institutes of the Netherlands Organisation for Scientific Research (NWO). The institute focuses on a multidisciplinary approach to energy research, combining physics, chemistry, engineering and materials science. DIFFER's research takes place in two main themes: Solar Fuels for the conversion and storage of renewable energy and Fusion Energy as a clean and unlimited source of energy. DIFFER develops and supports a national network on fundamental energy research and collaborates closely with the academic community and industrial partners.