The following positions are available in the Materials and Catalysis Modeling group based in the Bernal Institute and Department of Chemical Sciences at the University of Limerick.

We are always seeking talented coworkers at the Bachelors, Masters, and Doctoral level. The available PhD- and postdoctoral positions and a possible scientific profile are given below, however, anybody who is self-motivated and interested in computational (electro)catalysis and molecular modeling is encouraged to contact Matthias Vandichel at

1) 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.

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 (


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. There are currently no postdoctoral vacancies advertised (