Chemistry » Reaction mechanisms and dynamics
Chemistry » Heterogeneous catalysis
Physics » Computational physics
Physics » Chemical physics
Organisation/Company University of Limerick Department Materials and Catalysis Modelling Group Research Field Engineering » Chemical engineering Engineering » Materials engineering Engineering » Simulation engineering Engineering » Process engineering Chemistry » Computational chemistry Chemistry » Physical chemistry Chemistry » Reaction mechanisms and dynamics Chemistry » Heterogeneous catalysis Physics » Computational physics Physics » Chemical physics Physics » Quantum mechanics Physics » Applied physics Researcher Profile First Stage Researcher (R1) Positions PhD Positions Country Ireland Application Deadline 26 Sep 2025 - 12:00 (Europe/London) Type of Contract Temporary Job Status Full-time Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No
Offer Description
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 NOxelectrolyzers, 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.
* 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 to Matthias.Vandichel@ul.ie and include their curriculum vitae, cover letter and copies of relevant diplomas.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.
Additional information about the University of Limerick, the Department of Chemical Sciences and the Bernal Institute can be found below:
The University of Limerick (UL) is located in the Wild Atlantic Gateway city of Limerick on the west coast of Ireland. With over 18000 students, including more than 3,300 internationally mobile students each year, UL is an independent research-led university offering undergraduate and postgraduate programmes across Arts, Humanities and Social Sciences; Education and Health Sciences, Science and Engineering and the Kemmy Business School. With strong links to business and industry, UL excels at translational research, which aims to accelerate the practical application of academic research to benefit society. At UL, sustainability is at the core of everything we do and we are fully cognisant of the need for our University to lead in this area locally, nationally and internationally. Having identified four high-level challenges, UL developed the first Sustainability Framework in Ireland to ensure that our actions will make a difference. Known as ‘Ireland’s Sporting Campus’, UL boasts Ireland’s first altitude training centre, an Olympic-sized swimming pool and the National Strength and Conditioning Centre as well as a host of new all-weather state-of-the-art 3G pitches. This network of pitches gives UL the largest artificial grass development in Europe and the Sports Arena attracts more than 700,000 visitors each year. Cafes, restaurants, student and faculty accommodation options and a range of on-campus facilities provide an outstanding student experience and a stimulating working environment. As one of Ireland’s foremost universities, UL is recognised for its dedication to an outstanding student experience, commitment to graduate employability and its research with societal impact making fruitful an extensive network of partnerships with industry government and communities, nationally and internationally.
The Department of Chemical Sciences at the University of Limerick is dedicated to delivering cutting edge undergraduate and postgraduate education. Focused in the areas of chemical, biochemical, pharmaceutical and environmental science and engineering, it represents a core department within the Faculty of Science and Engineering. Playing a leading role within the University’s Bernal Institute, the Department contributes significantly to the Institute’s world-class interdisciplinary research on structured materials. The Department of Chemical Sciences is dedicated to supporting and actively contributing to the University’s vision, mission and goals.
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