Research Associate (fixed-term)

About the role

A 4-month postdoctoral position is available in the group of Dr. Elizaveta Suturina for candidates with skills in computational chemistry and/or magnetic resonance. 

Candidates should have a strong publication track record and demonstrated commitment to research excellence. 

Expertise in ab initio methods and coding (Python) are essential. 

This position is funded by EPSRC for NMR analysis of paramagnetic metal complexes.

We are looking for a highly motivated individual to work within our research team. You must hold a PhD in computational chemistry and/or magnetic resonance. 

About the project

Nuclear Magnetic Resonance (NMR) spectroscopy has become one of the essential characterisation techniques in chemistry. 

However, paramagnetic molecules are often discarded from NMR characterisation as analysis of their NMR spectra is deemed to be too complex. 

While there have been significant advances in the theoretical understanding of paramagnetic NMR (pNMR) spectra, there is still a huge gap between theorist and experimentalists as most of the computational approaches are not translated into tools accessible for inorganic chemists to analyse their paramagnetic metal complexes with NMR. 

The proposed research project will innovate paramagnetic NMR data analysis by integrating high-level quantum chemistry methods, tailored models for paramagnetic shift and relaxation enhancement supported by machine learning with the goal of making pNMR analysis as simple, rigorous, and accessible as the standard NMR of diamagnetic molecules. 

For more details contact Dr. Elizaveta Suturina (e.suturina@bath.ac.uk)

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