A funded four-year PhD is available in my group at the University of Bristol in the Centre for Computational Chemistry. The project will focus on “Using dynamics to steer chemical reaction outcomes in condensed phases”. The funding covers tuition fees, and also provides an annual stipend of £14,057.
The mechanisms whereby chemical reactions produce stereoisomeric excesses of particular products has long been a topic of interest. For example, natural biological systems have evolved to utilize specific enantiomeric forms of their constituent biomolecules. Understanding why this is the case remains an outstanding fundamental question with impacts on several scientific fields. Practically, understanding the mechanisms whereby chemical reactions produce excesses of particular product stereoisomers also has considerable importance in areas like synthetic and medicinal chemistry, ultimately enabling us to undertake rational design of enantio-specific molecular architectures. This project will involve a range of skills, including methods development, writing parallel computer code, and applications run on supercomputing facilities.
In recently published work, [1-3] my group has developed & applied state-of-the-art molecular dynamics frameworks to highlight systems where reactions can be dynamically steered to form particular products, with a product ratio that depends on the solvent in which the reaction takes place. In this project you will use and develop state-of-the-art molecular dynamics machinery recently developed in our groups to carry on these studies, and apply them to reactions taking place in enantiomerically pure chiral solvents and in supercritical fluids.
The project is funded through TMCS, an EPSRC Centre for Doctoral Training operated by the Universities of Oxford, Bristol and Southampton. The first year of the programme will be based in Oxford with a cohort of 12–15 other PhD students. During this time, you will take classes from academics at all three Universities, spanning a range of areas including fundamental theory, software development, and chemical applications. Successful completion of year-one leads to the award of an Oxford MSc, and subsequent progression to 3-year Bristol-based PhD project.
To apply, please make an online application for this PhD position at http://www.tmcs.ac.uk/how-to-apply.aspx
Info related to the application deadline can be found on the TMCS webpage: http://www.chm.bris.ac.uk/ccc/tmcs.html