Vacancies

There are currently three PhD-positions available in the Materials and Catalysis Modeling group based in the Bernal Institute and Department of Chemical Sciences at the University of Limerick.

The Materials and catalysis modelling group led by Professor Matthias Vandichel at the University of Limerick, Ireland, is looking for three highly motivated PhD researchers. The projects are fully funded through the Research Ireland Frontiers for the Future awards MEM-E-TECH, focusing on computational catalysis research and materials engineering to develop functional electrochemical membranes. Our final goal is to develop electrocatalysts and membrane-based technology for various electroreduction reactions (Hydrogen Evolution Reaction, NOx reduction reaction, NOx/CO co-reduction reaction). Therefore, predictive multiscale models will be developed to guide the experimental design of materials. This will allow the prediction of electrochemical cell and flow reactor performance as a function of the chemistry and structure of the material interfaces, considering relevant active sites and reaction mechanisms. Model predictions will be made for stand-alone NOx electrolyzers, and material composition optimized for the cathode flow reactor/stack to maximize the electro-conversion; aiming for high faradaic efficiencies. The appointed PhD-student will be seconded for short periods at collaborator labs in the Netherlands and the Czech Republic, where they will gain experimental and catalyst synthesis experience.

The PhD applicants are expected to select and work on one of the topics; ranging from computational design of membranes, experimental validation and electrochemical tests to computational reaction network generation, kinetic, and reactor modelling.

Potential applicants are expected to have the following attributes

• Self-drive and motivation, ambition, resilience and high willingness to learn within a multidisciplinary project and research environment.
• Fluent English communication skills
• Excellent research and scientific writing and skills.
• A background in Master’s degree in Physics, Chemical Engineering, Theoretical Chemistry, Materials Engineering, Computational Chemistry, Physics Engineering, or an equivalent degree.
• demonstrated knowledge in computational (and/or experimental) material science, physics, chemistry or equivalent experience
• demonstrated experience with coding (Matlab, Python, Jupyter, C, etc.) and quantum chemistry software (VASP, CP2K, quantum espresso, wien2k, Gaussian, etc.) or force-field-based simulations is an advantage;
• Strong oral communication and interpersonal skills and with the ability to represent the research team effectively internally and externally, including presenting research outcomes at national and international conferences.

What we offer

A 4-year PhD stipend and payment of fees. The selected candidates will moreover get the ability to strengthen their CV within the context of the multidisciplinary 'Bernal' Structured Materials Research Institute, hosting 70 principal investigators and their research teams. The PhD research can lead to interdisciplinary collaborations, and PhD students will also have the opportunity to attend various international conferences, tutorials and workshops.

How to apply

Applicants should mention ‘PhD application’ in the subject of their email and include their curriculum vitae, cover letter and copies of relevant diplomas and transcripts to Matthias.Vandichel@ul.ie. The CV must include information on the applicant's educational background, scientific publications and presentations, and any relevant research/work/volunteering activities.  Considered candidates will be contacted shortly thereafter and will be asked for further details. Updates on the hiring procedure will be provided during the interviews. Applications will be considered as they are received, and positions will be filled as soon as possible, preferably by or before the end of September 2025.