A 1-year EPSRC-funded postdoctoral researcher position is available in 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].

You will be responsible for automating the force field derivation pipeline, and working in collaboration with molecular therapeutics programmes at the Northern Institute for Cancer Research to ascertain its accuracy in drug discovery applications.

[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.

For further details and to apply please refer to:

http://bit.ly/2yrTZ8h

The deadline for applications is 13 November 2017.

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

http://www.ncl.ac.uk/nes/staff/profile/danielcole.html