Postdoctoral Research Associate in Chemistry

Страна: Великобритания;

Дедлайн: 15.07.2019



A PDRA position in computational chemistry is available immediately for a period of 24 months, to work in association with Dr Paul Hodgkinson and Prof. Mark Wilson on developing methods to understand motion in organic solids via molecular dynamics simulation and solid-state NMR.

In this project funded by the Leverhulme Trust, we are using molecular dynamics simulations to predict the nature and timescale of motions in the solid state in order to guide the acquisition and modelling of experimental solid-state NMR. The ultimate goal is to develop robust protocols for understanding technologically excited applications of disorder in solids, such as molecular rotors and order-disorder phenomena in ferroic materials. Since NMR can observe dynamics on timescales that are long compared to the length of the typical MD simulations, candidates with experience in accelerated MD methods (in either ab initio or atomistic MD) are particularly welcome. The PDRA will be primarily responsible for developing simulations, analysing the results to obtain molecular motions, and applying developing methods for efficient characterisation of free energy surfaces in solids. This is a relatively under-explored area, with the potential for a talented researcher to develop a new field of applications.

This is a full time, fixed term post.