Modeling of catalysis with transition metals - Marcus Lundberg
The long-term target of my research is to develop transition-metal catalysts that can be used to generate fuels from sunlight in a renewable energy system. Our contribution is a detailed modeling of the reactions using computer simulations to better understand the factors that determine the efficiency of catalysts. Some of the best catalysts for these reactions are enzymes involved e.g., in photosynthesis, which makes it interesting to model also biological reactions. X-ray spectroscopy is an important probe of these systems with experiments performed at powerful lightsources like Max IV in Lund, Sweden and the free-electron laser LCLS in Stanford.
Research leader: Marcus Lundberg
Our ongoing research
X-ray spectra of transition-metal catalysts
Solar fuel catalysis
Multi-scale models of enzymatic reactions
Work for us
Are you interested in theoretical chemistry and wants to understand how catalysis works? We always have opportunities to perform undergraduate projects at the Bachelor and Master level. Currently there are no open PhD or post-doc positions, but there are possibilities to get individual grants from external funding agencies, e.g., Marie Sklodowska-Curie, the Wennergren foundation (application by host institution) and the Erasmus Mundus program.