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2-year PDRA: Development of Methodologies to Cou ... (No replies)

valentina erastova
5 years ago
valentina erastova 5 years ago

A PDRA position is available immediately for a period of 24 months at Durham University, UK.

The work will focus on the methodological development to understand motion in organic solids via molecular dynamics simulation and solid-state NMR.

You will work with the groups of  Dr Paul Hodgkinson and Prof Mark Wilson.

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 exciting 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 longer than typically accessible by MD simulations, candidates with experience in accelerated MD methods 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.

Informal enquiries should be addressed to Dr Paul Hodgkinson [email protected]

Deadline: Midday, 15th July

For more information and to apply: https://recruitment.durham.ac.uk/pls/corehrrecruit/erq_jobspec_details_form.jobspec?p_id=019070




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Ab initio (from electronic structure) calculation of complex processes in materials