Loughborough University has seen 94% of our research impact rated as ‘world-leading’ or ‘internationally excellent’, underlining the wide-ranging positive impacts that our research has on the world (REF, 2021).
In choosing Loughborough for your research, you’ll work alongside academics who are leaders in their field. You will benefit from comprehensive support and guidance from our Doctoral College, including tailored careers advice, to help you succeed in your research and future career. Find out more.
Start date:
April 2022, July 2022, October 2022, January 2023
Full-time/part-time availability:
Full-time (3 years), Part-time (6 years)
Project detail:
The objective of this project is to provide deep insight into a chosen organic reaction mechanism. The precise project can be aligned with your interests. Previous work in the group involves enantioselective catalysis, photocatalysis, transition metal complexes, luminescent lanthanide sensors for biological molecules, optoelectronic materials, and natural products. We can model some of the cutting-edge work that is being done at Loughborough or find collaboration partners internationally.
We will model energies of intermediates and transition states using modern density functional theory methods as well as high-level correlated ab initio theory. Various additional contributions - solvent, enthalpy, and entropy - will be modelled. Optimal methods to analyse the data and present the results will be developed.
You will gain the practical skills to carry out computations on molecules including geometry optimisations, frequency analyses, and more advanced topics in computational chemistry. In addition, thorough understanding of the theory will be taught. The necessary IT skills will be developed.
At the end of this project, you will be able to carry out analogous work on your own.
Entry requirements:
Applicants should have or expect to achieve at least a 2:1 honours degree (or equivalent international qualification) in chemistry.
Some familiarity with computational chemistry software is desirable.
How to apply:
All applications should be made online (https://www.lboro.ac.uk/study/apply/research). Under programme name, select Chemistry. Please quote the advertised reference number CM/FP-Un1/2022 in your application.
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