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Postdoctoral position in DFT and MD simulations ... (No replies)

Skylaris
6 years ago
Skylaris 6 years ago

We are seeking to appoint a highly motivated and ambitious postdoctoral researcher to work on an exciting new project on the development and application of protocols to study membrane embedded enzymes using quantum and classical mechanics methodologies. Membrane proteins present a challenge to computational methods, given the environments involved (both membrane and aqueous environment need to be considered). This is particularly challenging for quantum calculations, as the effect of the environment (protein, membrane, water) needs to be included. To understand the mechanisms of action of these enzymes, is it necessary perform large-scale quantum mechanical calculations from first principles. Therefore, in this project, the researcher will work together with the groups of both Professor Syma Khalid and Professor Chris-Kriton Skylaris to bring together their respective expertise to develop a set of robust protocols for the study of membrane embedded enzymes using classical and quantum computational methodologies. 

The position is available for 36 months in total, with appointment initially for one year, which will be extended subject to satisfactory performance.

You will hold a PhD or equivalent professional qualifications and experience in computational chemistry, biophysics or physics with a strong background in computational methods for molecular-level calculations. Experience with DFT calculations is essential. 

For informal enquiries, please contact Syma Khalid ([email protected]) or Chris-Kriton Skylaris ([email protected]). Further details can be found here:

https://jobs.soton.ac.uk/Vacancy.aspx?ref=982218EB

Application deadline 7 April 2018. Please apply online at  http://www.jobs.soton.ac.uk 




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