Postdoc Position in Computational Materials & Electrocatalysis

The Computational Catalysis and Energy Materials (CCEM) group, led by Prof. Max García-Melchor, is seeking a postdoctoral researcher with experience in modelling (electro)catalytic processes with periodic DFT. The post is available from January 2024 (or soon thereafter) and the contract is for 3 years.

This project is funded by Horizon Europe and is part of the ICONIC (Integrated COnversion of Nitrate and Carbonate streams) consortium, which involves 6 leading academic partners across Europe with expertise in the areas of chemistry, electrochemistry, materials science, spectroscopies, and engineering, spanning all scales from catalyst design to system-level implementation.

The ICONIC project pursues the development of a new technology to remediate water ecosystems that have been polluted due to intense agriculture, farming, and CO₂ emissions by using electrolysis to generate globally used chemicals. In particular, ICONIC seeks to convert harmful chemicals responsible for eutrophication and ocean acidification (i.e. nitrates and carbonates from seawater) into urea, the most important globally produced C-N chemical.

This research will involve the use of state-of-the-art computational methods to guide the discovery of cost-effective electrocatalysts to produce urea and other C-N products. The project will be conducted in the CCEM group, an international and dynamic research team based in the highly international and collaborative scientific environment offered by the School of Chemistry at Trinity College Dublin (https://chemistry.tcd.ie).

The ideal candidate will be highly motivated, enthusiastic about research, and be in possession of a PhD in Chemistry, Physics, Computational Chemistry, Nanoscience, Chemical Engineering, or related discipline, with a demonstrated background in modelling (electro)catalytic processes with periodic DFT. Good programming experience and excellent oral and written communication skills in English are required. The successful applicant is also expected to contribute to the training and supervision of undergraduate/postgraduate students, and to present their research at the regular group meetings and scientific conferences.