PhD: Computational Catalyst Design

Do you want to shape the future of sustainability? We are seeking a highly self-motivated PhD candidate to join our team working on atomic level catalyst design and reaction mechanism of CO2 and CO hydrogenation processes.

Your job

Do you want to shape the future of sustainability? We are seeking a highly self-motivated PhD candidate to join our team working on atomic level catalyst design and reaction mechanism of CO2 and CO hydrogenation processes.

The project focuses on understanding of reaction mechanisms and establishing structure–reactivity relationships in CO2 and CO heterogeneous catalysis using a combination of DFT, AIMD, and machine-learning potential driven MD. The PhD position is embedded in a broader research consortium working on green hydrogen and electrons for carbon-based chemistry. This project will have a close collaboration with experimental and industrial ca...