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Computational Studies in Homogeneous Catalysis

This project is no longer listed in the FindAPhD
database and may not be available.

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  • Full or part time
    Prof M Buhl
  • Application Deadline
    Applications accepted all year round

Project Description

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:

Funding Notes

Successful applicants should hold or expect to obtain a degree at grade 2.1 or above, or its equivalent. Experience with computational methods is a plus. Funding covers a stipend for 3 and a half years and all fees at the home rate (UK and EU students).


N. Sieffert, R. Reocreux, P. Lorusso, D. J. Cole-Hamilton, M. Bühl, Chem. Eur. J. 2014, 20, 4141-4155.
L. Crawford, D. J. Cole-Hamilton, M. Bühl, Organometallics 2015, 34, 438-449.

How good is research at University of St Andrews in Chemistry?
(joint submission with University of Edinburgh)

FTE Category A staff submitted: 37.30

Research output data provided by the Research Excellence Framework (REF)

Click here to see the results for all UK universities
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