Field of work

The project involves density functional theory (DFT) calculations of the electrochemical CO₂ reduction reaction (CO2RR) where new catalyst materials are studied and screened for efficient CO2RR. Thermodynamics of the cathode reaction will be investigated and the free energies for CO₂ adsorption on the surface and its subsequent hydrogenation towards different products will be studied, in addition to investigation of the stability and selectivity. The goal is to identify new electrocatalysts via DFT calculations that can be promising for experimentalists.

Qualification requirements

• M.Sc. degree in chemical engineering, chemistry, engineering physics, or applied physics.
• Research experience.
• Experience in modelling with ab initio electronic structure theory (at the level of DFT) in the field of catalysis, experience of electro-catalysis and VASP is an advantage.
• Experience in AIMD simulations is desirable.
• Good communication skills and ability to work in a team.
• Good ability at expressing themselves in speech and in writing.
• Good knowledge of programming is a plus.

Application process

The application should include i) a CV, ii) a cover letter (max 2 pages) describing why the candidate should be considered for this position, iii) scanned transcripts of the B.Sc. and M.Sc. degrees, courses and grades, and iiii) contact information for two professors/advisors (phone number and e-mails) that have supervised the student in his/her B.Sc. and/or M.Sc. research project and are willing to provide a letter of recommendation.