Computational Studies in Homogeneous Catalysis

The project involves performing large-scale quantum-mechanical computations for organometallic systems, focusing on their catalytic activity in a variety of processes. The goal is to provide detailed mechanistic insights that will enable rational design of new catalysts in the wider context of sustainable development. There will be the possibility to collaborate closely with leading experimental groups within the School of Chemistry in St Andrews.

Further information about Chemical Research in St Andrews can be found on the School of Chemistry Webpage:
http://www.st-andrews.ac.uk/chemistry/