1) Two postdoctoral positions with focus on Geothermal Energy

The project aims to demonstrate that geothermal energy in Ireland can be a technologically, economically and socially sustainable resource. The project, builds on solid expertise in chemical engineering thermodynamics and process simulations to design and develop suitable technologies maximizing the heat transfer and flows with phase change in heat pumps and other compact heat exchangers required for harnessing geothermal energy reserves. Two positions are available.

Overall Purpose of the Job / position #1 This position (position #1) is available to undertake research in the area of multi-scale modelling of flows. The goal is to bridge the TRL-levels from 1 up to TRL-4 via simulations and in a later stage the detailed engineering towards a first generation prototype. This will include equipment unit calculations and sizing. Different closed loop systems will be studied via the evaluation of thermodynamic cycles, and the evaluation of the feasibility of implementation as function of available geothermal resources and temperature gradients. More specifically, a screening study of different chemicals/refrigerants and the optimization of their heat-uptake performance of the available geothermal heat reservoir temperature (using ASPEN, Dynochem, COMSOL packages). A mixture of components will be selected on basis of a phase-transition point (melting/boiling) and we will determine the optimal composition of working fluids/chemicals via various phase diagrams. Appropriate methods will be used for the description of non-idealities and multiphase behaviour. The simulation work will be collaborative, incorporating also computational insights from CFD simulations (position #2). This is a unique opportunity for a dynamic and ambitious chemical/ mechanical engineering researcher with experience in multiphase flows (with phase change such as boiling, evaporation, condensation) and computational flow modelling at postgraduate or post-doctoral level. The successful candidate will develop new insights and ideas for simulating geothermal processes. The work will involve computational as well as experimental components. The successful candidate will have the opportunity to work with project partners. A thorough knowledge of process simulations, thermodynamics of phase change, computational modelling is essential. Experience of simulating processes with multiphase flows and/or flows with phase change like boiling or condensation is desirable.

Overall Purpose of the Job / position #2 This position is available to undertake research in the area of multi-scale modelling of flows with phase changes in hear pipes. The goal is to develop high fidelity multi-scale computational models, validate these models using carefully designed experiments and apply these models for developing efficient heat pumps and compact heat exchangers required for harnessing geothermal energy. This is a unique opportunity for a dynamic and ambitious chemical/ mechanical engineering researcher with experience in multiphase flows (with phase change such as boiling, evaporation, condensation) and computational flow modelling at postgraduate or post-doctoral level. The successful candidate will develop new insights and ideas for simulating multiphase systems with phase changes. The work will involve computational as well as experimental components. The successful candidate will have the opportunity to work with other team members (position#1) and project partners. A thorough knowledge of multiphase flows, thermodynamics of phase change and computational modelling is essential. Experience of modelling flows with phase change like boiling or condensation will be desirable.

Qualifications * A doctoral degree (level 10 NFQ) in chemical / mechanical engineering or allied engineering fields.

Other expectations * Contribute to the research programme of the Department under general guidance of a member of the academic staff or Principal Investigator/Project Leader. * Define research objectives and proposals for own (or joint) research in line with research strategy. * Conduct individual and/or collaborative research projects in a variety of settings (laboratory, creative performance, field, clinical setting). * Determine appropriate methodologies for research, with advice and support as appropriate. * Assess research findings for the need/scope for further investigations/commercial exploitation. * Translate knowledge of advances in the subject area into research activity.

Contact: Matthias.Vandichel@ul.ie, Vivek.Ranade@ul.ie, geothermal.energy.ireland@gmail.com

2) PhD position in computational electrocatalysis

The Materials and Catalysis Modeling group of the University of Limerick (UL, Ireland) is looking for outstanding candidates for PhD and postdoc positions in computational electrochemistry to study metal-hydride materials and electrochemical reactions at material interfaces. Applicants are invited to apply for the above posts (starting date; as soon as possible). The positions will be initially funded through a FET-proactive project, in which UL is part of a European consortium on ‘Breakthrough zero-emissions heat generation with hydrogen-metal systems’ (HERMES) involving 7 EU partners. Computational electrocatalysis screening studies will be performed involving a variety of modelling techniques.

Applicants may have a background in Physics, Theoretical Chemistry, Computational Chemistry, Chemical Engineering, Materials Engineering, Physics Engineering, or equivalent degrees. Knowledge in computational material science, computational chemistry or equivalent computational experience is desired as well as good communication and interpersonal skills. The research involves interdisciplinary collaborations where the aim is to gain a computational understanding of phenomena taking place on the nanoscale to rationalize experimental observations. Experience with electronic structure packages (VASP, CP2K, quantum espresso, etc.), computational workflows and programming background (for example Python, Julia, Jupyter, etc.) will undoubtedly be useful for PhD-positions and is desirable for the Postdoc position.

3) Positions can be opened on molecular modeling of adsorption and separation phenomena in porous materials.

Adsorption in innovative porous materials developed in Prof. Zaworotko’s lab will be studied using computational methods, which will include ab initio thermodynamics, molecular dynamics simulations, Grand canonical Monte Carlo simulations, force field development using machine learning methods, and other techniques.

4) There are several other opportunities via externally funded fellowships

Interested candidates can obtain their own fellowship by applying to external funding agencies. If you are interested in working with us and would like to apply for postdoctoral or PhD fellowships below, feel free to contact Matthias Vandichel (mattthias.vandichel@ul.ie).

• Marie Sklodowska-Curie Fellowships (up to 2 years – postdoctoral)
• Enterprise Ireland Career-Fit PLUS fellowships (up to 3 years – postdoctoral)
• Irish Research Council postdoctoral fellowships (up to 2 years – postdoctoral)
• Irish Research Council postgraduate fellowships (up to 4 years -- PhD)
• Irish Research Council enterprise partnership scheme postgraduate fellowships (up to 4 years - PhD)