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Computational approaches to chemical synthesis


Department of Chemistry

About the Project

Computational chemistry, machine learning and big data approaches are poised to change how chemical synthesis is carried out. A new breed of "digital chemists" will be able to quickly and accurately predict reaction mechanisms, stability of isomers, spectroscopic properties, catalyst design and product yield ratios amongst others. Working closely with experimental groups will also allow for the refinement of these tools and close the loop between theory and experiment.

In this project you will develop and apply new computational methods to challenging problems in organic synthesis, involving aspects of catalysis, organoboron chemistry and asymmetric synthesis. The work is suitable for ambitious students with a strong interest in computational chemistry and a willingness to learn computer programming.

Further details of the project are available on request.


Funding Notes

This is a self-funded project. The applicant should have or expect to gain at least an upper second class degree, or equivalent overseas qualification, in a relevant subject.

If you have the correct qualifications and access to your own funding, either from your home country or your own finances, your application to work with this supervisor will be considered.

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