The following PhD and postdoctoral positions are available in the Materials and Catalysis Modeling group of Matthias Vandichel, based in the Bernal Institute and Department of Chemical Sciences at the University of Limerick (

1) One postdoctoral position in the area of computational electrochemistry, to study electrochemical reactions on solid-solid interfaces.

Applicants are invited to apply for the above post (starting January 1st, 2020 or soon thereafter). The position is funded by a FET-proactive project. Therefore, the Materials and Catalysis research group of the University of Limerick (UL) is looking for outstanding candidates for a 2-year postdoc position (which can be extended) within the field of computational electrochemistry to study metal-hydride materials and electrochemical reactions at material interfaces.

The positions are part of an European consortium on ‘Breakthrough zero-emissions heat generation with hydrogen-metal systems’ (HERMES) involving 7 partners. At the University of Limerick, we will focus on computational electrochemistry studies to unravel reactions taking place in and on specific systems. The work and accompanying model development will rely mostly on computational electrocatalysis studies of reaction pathways and involve implementation of computational screening, machine learning, Factored Analysis of Mixed Datasets (FAMD), kinetic modeling and Monte Carlo simulations to describe catalytic reactions.

2) Positions can also 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.

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 (

How to apply

Applicants may have a background in Chemical Engineering or Materials Engineering, Physics Engineering, Chemistry, Physics or equivalent degrees. A background in computational material science, computational chemistry or equivalent computational experience is desired as well as good communication and interpersonal skills. The research will certainly involve interdisciplinary collaborations and the aim is to gain computational understanding of phenomena taking place on the nanoscale and being able to explain experimental observations.

Experience with first-principles program packages, computational workflows and programming background (for example Python, Julia, Jupyter, etc.) will certainly be useful for PhD-positions and is desirable for Postdoc positions.

Interested candidates can send their resume and short introduction letter to

For the PhD-positions, I will review of the applications immediately and continue the recruitment until the positions are filled. The postdoctoral vacancy on computational electrocatalysis is currently online and applications can be made via the HR-system (