Research Fellow (105979-0622) 

Department: Chemistry
Salary: 31,406 - 40,927 per annum
Location: University of Warwick, Coventry
Vacancy Overview: Fixed-term contract for 36 months starting from 
   1 September 2022, 1.0 FTE.

Nearing the theoretical limits of conventional Li-ion batteries, 
the ever-increasing demand for powering todays 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. These tasks require calculations that are run on local, 
and national-scale high-performance computing (HPC) facilities.

The post is funded by an Engineering and Physical Sciences Research 
Council (EPSRC) grant.
The work packages are implemented in close collaboration with the leading 
experimentalist and theoretician experts from the University of Warwick 
(Chemistry, Physics and WMG), University of Cambridge (Chemistry) 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] Carbon, 2022, 191, 255-266; [2] Physical Review 
Materials, 2020, 4 (6), 065401; [3] J. Am. Chem. Soc., 2020, 142, 6, 
3132-3148; [4] Chem. Mater. 2019, 31, 4, 1250-1257; [5] ACS Nano, 2017, 
11 (9), 93039311; *Copies are available upon request.

If you are near submission or have recently submitted your PhD but have not
yet had it conferred, any offers of employment will be made as 
Research Assistant at the top of level 5 of the University grade 
structure (30,497). Upon receipt of evidence of the successful award of 
your PhD, you will be promoted to Research Fellow on the first point 
of level 6 of the University grade structure (31,406 pa).

Please direct informal enquiries and requests for further information 
to Dr. Bora Karasulu ( bora.karasulu(~)warwick.ac.uk ). 

The post-doctoral researcher (PDRA) will employ a wide range of 
state-of-the-art computational modelling methods to model all-solid-state 
battery (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.

Duties & Responsibilities
1. Apply computational techniques (based on both DFT and empirical 
potentials) for (a) the modelling of battery materials and their various 
properties as well as their interfaces; (b) exploration of new materials 
and (c) the prediction of ionic and electronic transport behaviour within 
bulk materials and their interfaces.

2. Contribute to the preparation of peer-reviewed publications, posters, 
scientific reports, and grant bids.

3. Deliver oral and poster presentations at international conferences 
and workshops.

4. Participate in group seminars, collaboration meetings, and other 
intellectual activities.

5. Assist in the supervision of MSc/MChem and PhD students affiliated 
to the project.

6. Manage own academic research and administrative activities, including 
small-scale project management and coordinating multiple aspects of work 
to meet deadlines.

7. To act with professionalism at all times and show respect to their 
colleagues and to understand and adhere to the University's value of 
dignity at work; they are also expected to work collegially and 
to support all the teams with which they have contact in achieving 
the University's objectives.

8. Any other duties commensurate with the grade and level of responsibility
of this post, for which the post holder has the necessary experience 
and/or training.

Closing Date: 20 July 2022

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