We are seeking an outstanding PhD candidate in the field of computational electrocatalysis. The PhD project aims to use state-of-the-art quantum simulation techniques, Density-Functional-Theory (DFT), Ab Initio Molecular Dynamics (AIMD), and Machine Learning (ML) tools to develop theoretical electrocatalytic frameworks. Hereby, the project will challenge existing research on catalysis, move the boundary of fundamental catalysis, and approach the next generation of selective renewable reactions. Typical work is highly collaborative, internally within experimental groups at DTU and externally with other leading universities.
