A funded PhD studentship is available at the Theory and Computational Chemistry research group at Newcastle University. This project will use the ONETEP linear-scaling density functional theory software to design classical molecular mechanics force fields for the development of novel cancer therapies [1,2]. The successful candidate will work closely with molecular therapeutics programmes at the Northern Institute for Cancer Research with the goal of establishing these computational methods as a standard tool in the drug discovery pipeline.

[1] Cole DJ et al. Biomolecular Force Field Parameterization via Atoms-in-Molecular Electron Density Partitioning. J. Chem. Theory Comput. 2016, 12, 2312-2323. [2] Cole DJ, Hine NDM. Applications of Large-Scale Density Functional Theory in Biology. J. Phys.: Cond. Matt. 2016, 28, 393001.

To apply please refer to:

http://www.ncl.ac.uk/postgraduate/funding/sources/allstudents/cy035.html

The deadline for applications is 11 January 2017.

For informal enquiries please contact Daniel Cole (Daniel.Cole'at'ncl.ac.uk).