Vacancy Type/Job category
£30,942 - £40,322 per annum
University of Warwick - Coventry
Fixed Term Contract for 3 years PDRA position is now available in the Karasulu
36.5 hours per week
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
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
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.
If you have not yet been awarded your PhD but are near submission or have
recently submitted your PhD, any offers of employment will be made as Research
Assistant on level 5 of the University grade structure (£30,046). Upon
successful award of your PhD and evidence of this fact, you will be promoted
to Research Fellow on the first point of the level 6 of the University grade
Athena SWAN Silver Award
We are committed to supporting staff to achieve their potential. Both the
Department of Chemistry and the University of Warwick hold Athena SWAN silver
awards, a national initiative that recognises the advancement of gender
equality, representation, progression, and success for all in academia. We
provide a welcoming and inclusive working and learning environment,
recognising that everyone is different in a variety of visible and non-visible
ways, and that those differences are to be recognised, respected, and valued.
We welcome applications from individuals who identify with any of the
protected characteristics defined by the Equality Act 2010. We are supportive
of staff with caring responsibilities.
Interviews are expected to take place week commencing the 18th July 2021.
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 AND RESPONSIBLITIES
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, and
3. Deliver oral and poster presentations at national/international
conferences and workshops.
4. Participate in group seminars, collaboration meetings, and other
5. Assist in the supervision of MSc and PhD students affiliated to the
6. Manage own academic research and administrative activities, including
small-scale project management and coordinating multiple aspects of work to
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
The Person Specification focuses on the knowledge, skills, experience and
qualifications required to undertake the role effectively. This is measured by
(a) Application Form, (b) Test/Exercise, (c) Interview, (d)
Essential Criteria 1
Applicants must have (or expect to shortly obtain) a PhD in a relevant area
of computational chemistry, physics, computer science or other relevant
Essential Criteria 2
Competence in computational chemistry applications using density-functional
theory and empirical interatomic potentials, large data analysis using
shell/Python scripts, and/or scientific programming (e.g. Python/, C++ or
similar) (a) (b) (c) (d)
Essential Criteria 3
A demonstrated capacity for independent research work. (a) (b) (c) (d)
Essential Criteria 4
The candidate should have an emerging track record of peer-reviewed
publications of disseminating results at conferences, as demonstrated by
co-/first author contributions. (a) (b)
Essential Criteria 5
Effective written and verbal communication skills in English. (a) (b)
Essential Criteria 6
An ability to work collaboratively and effectively with academic and
administrative colleagues, and with colleagues outside the University to
promote collegiality (a) (c)
Desirable Criteria 1
Proven experience in the application of first-principles methods, theoretical
spectroscopy, and/or molecular dynamics as well as developing scientific codes
is highly desirable. (a) (b) (c)
Desirable Criteria 2
A strong background in electronic structure theory, condensed matter theory,
electrochemistry and/or surface chemistry will be advantageous (a) (c)
Desirable Criteria 3
Experience in using high performance computing (HPC) in a Unix/Linux
environment, command line tools and shell scripting is highly desirable. (a)
Desirable Criteria 4
Familiarity with application/development of machine-learning based interatomic
potentials will be advantageous. (a) (c)
Desirable Criteria 5
Ability and willingness to write bids for grant and compute (HPC) time
proposals is desirable (a) (c)
For further information about the University of Warwick, please read our
University Further Particulars.
For further information about the department, please visit the departmental
What we offer
We will provide you with a great range of benefits, which include an
attractive pension scheme, 30 days' holiday plus Christmas closure, excellent
learning and development opportunities, and savings on a wide range of
products and services.
We offer a generous maternity/paternity/adoption/parental leave policy, onsite
childcare facilities. We recognise the importance of a healthy work/life
balance and offer you access to flexible working, for more information visit
our Rewards and Benefits webpage.
We also have an excellent relocation package; to assess whether you may be
entitled, please see details on the following page
https: // warwick.ac.uk/services/humanresources/vacancies/relocation/.
Please include your CV, contact details for at least three academic referees,
your publication and presentations list, one key publication (if any) and a
supporting statement (max 2 pages) detailing your interest in the research
area and your suitability for the role. This information should be submitted
with your online application.
Referees may be contacted at the interview stage prior to consent.
Please direct informal enquiries and requests for further information to Dr.
Bora Karasulu (firstname.lastname@example.org).
Research group information is available at
https: // warwick.ac.uk/fac/sci/chemistry/staff/borakarasulu
A summary of the facilities available to Warwick Chemistry are given in
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The University of Warwick provides an inclusive working and learning
environment, recognising and respecting every individual's differences. We
welcome applications from individuals who identify with any of the protected
characteristics defined by the Equality Act 2010.
8 Jul 2021