The EPSRC-funded (EP/T026642/1) collaborative computational project for NMR crystallography (CCP-NC) www.ccpnc.ac.uk is funding an 8 to 10 weeks Undergraduate Vacation Project this Summer (2021).
The online project will be co-supervised by Professors Paul Hodgkinson (Durham) and Steven Brown (Warwick).
Specifically, CCP-NC has recently launched a repository of .magres files https://www.ccpnc.ac.uk/output/ccp-nc-database-of-nmr-data that are the outputs of calculations of solid-state NMR parameters, e.g., chemical shifts and electric field gradients, using the density-functional theory (DFT) based GIPAW (gauge-including projector augmented wave) method.
The main focus of the project will be to mine the literature for publications that include .magres files, e.g., as supporting information that will then be checked and uploaded to the database. You will also work with the database developers to check and improve functionality.
The research will be carried out online with no physical attendance planned at any of the participating CCP-NC Universities.
A bursary of £335 per week will be paid.
Closing date: Monday June 28th 11 a.m. UK time
Th requested data will be used solely for the evaluation of applications for the CCP-NC Summer Studentship 2021.
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