PhD fellowship in Theoretical Catalysis

Employment type: FULLTIME. Requisition: 3121930. PhD fellowship in Theoretical Catalysis PhD Project in Simulations Department of Chemistry Faculty of SCIENCE University of Copenhagen Department of Chemistry invites applicants for two PhD fellowships in Theoretical Catalysis.

The projects are rooted in the Theory group which is part of Center for High Entropy Alloy Catalysis (CHEAC) funded by Danish National Research Foundation, and the ERC Synergy project DEMI funded by European Research Counsil Executive Agency. Start date is 1 February 2027 or shortly hereafter. The projects The aim is to understand and discover materials for catalyzing electrochemical reactions.

The first project is focused on catalysis on high entropy alloys and understanding their activity in energy conversion reactions. The second project is focused on modelling stability of electrocatalyst materials. The aim is to develop a framework to predict metastability of catalyst materials. Among the methods used will be Density Functional Theory, statistics, machine-learning and dynamics.

Collaboration with members of other research groups at UCPH and abroad is required. Who are we looking for? We are looking for candidates within the field(s) of chemistry, physics, nanochemistry, material science or similar1 …