Fixed-term contract for 3 years PDRA position is now available in the Karasulu Lab, University of Warwick, Department of Chemistry.
36.5 hours per week. Closing Date: 8 Jul 2021

The post is funded by an Engineering and Physical Sciences Research Council (EPSRC) grant.

Project Description:
Nearing the theoretical limits of conventional Li-ion batteries, the ever-increasing demand for powering today’s energy-intensive applications has urged next-generation energy storage technologies. All-solid-state batteries (ASSBs), which utilise a solid electrolyte, have drawn soaring attention as they can (a) mitigate the safety risks associated with the conventional liquid electrolytes; and (b) provide superior battery performances. ASSBs will thus find uses in industries where battery safety and performance are utmost, such as electric vehicles. Some major limitations, however, are yet to be resolved before ASSBs can be fully commercialised, which we strive to tackle at a molecular level in our group through three closely-aligned work packages run in parallel: (1) Discovering novel ASSB materials with superior performance; (2) Modelling the Solid-Solid Interfaces within ASSBs; and (3) Developing Atomic Layer Deposition (ALD) strategies for ASSB Applications.

We are looking for an enthusiastic post-doctoral researcher (PDRA) who is eager to learn, create, and innovate in an ‘electrifying’ research field! The postholder will have a background in computational chemistry, physics, computer science or other relevant discipline. They will employ a wide range of state-of-the-art computational modelling methods, also contributing to their development. The research activities involve the atomistic modelling and discovery of ASSB materials, and first-principles characterization of their various properties, which allow for a direct connection with the experiments, done by collaborators. 

The work packages are implemented in close collaboration with the leading experimentalist and theoretician experts from the University of Warwick (Chemistry and WMG), University of Cambridge (Prof. Clare P. Grey and Prof. David J. Wales) and from abroad (TNO, Netherlands).

The PDRA will have ample chances (and is expected) to interact with the collaborators during their appointment.

Selected Publications: [1] Physical Review Materials, 2020, 4 (6), 065401; [2] J. Am. Chem. Soc., 2020, 142, 6, pp. 3132-3148; [3] Chem. Mater. 2019, 31, 4, 1250-1257; [4] ACS Nano, 2017, 11 (9), 9303–9311; *Copies are available upon request; also see this profile.

Job Description:
The PDRA will employ a wide range of state-of-the-art computational modelling methods to model ASSB materials, viz. electrodes and electrolytes, and related coating materials. The PDRA will use both DFT and empirical potential based methods to (a) investigate various structural, electronic, and spectroscopic properties of the battery materials; (b) explore new materials through high-throughput computational screening; (c) model the solid-solid interfaces and their chemistry and (d) predict the ionic and electronic transport behaviour within bulk materials and at the interfaces. Ideally, the post holder will also contribute to the development of the computational methodology, working on the group codes and writing input preparation and post-analysis scripts. The PDRA will therefore need to run calculations on local, and national-scale high-performance computing (HPC) facilities.

Interviews are expected to take place week commencing the 18th of July 2021.

Full details of the duties and selection criteria for this role can be found in the vacancy advert on the University of Warwick's jobs pages (https://atsv7.wcn.co.uk/search_engine/jobs.cgi?SID=amNvZGU9MTg3NzI2MiZ2dF90ZW1wbGF0ZT0xNDU3Jm93bmVyPTUwNjI0NTImb3duZXJ0eXBlPWZhaXImYnJhbmRfaWQ9MCZ2YWNfeHRyYTUwNjI0NTIuNTJfNTA2MjQ1Mj0yMzk5MTcmcG9zdGluZ19jb2RlPTYzNQ== )