Research Fellow in Atomistic Simulations of Energy Storage Materials (104065-0624)

Location: University of Warwick Campus, Coventry

Duration: Fixed term for 12 months

About the Role  

For informal enquiries, please contact Dr Bora Karasulu at bora.karasulu@warwick.ac.uk.

Approaching the theoretical thresholds of traditional Li-ion batteries, the escalating demand to power modern energy-intensive applications has spurred the quest for next-generation energy storage solutions. All-solid-state batteries (ASSBs), which employ a solid electrolyte, have garnered considerable attention due to their potential to (a) mitigate safety concerns linked with liquid electrolytes commonly used in conventional batteries, and (b) deliver superior battery performance. ASSBs are poised to find applications in industries prioritizing both battery safety and performance, such as electric vehicles. Nonetheless, several significant challenges need resolution before ASSBs can be widely commercialised. Our group is dedicated to addressing these challenges at a molecular level through three concurrent research directions:

1. Identifying novel ASSB materials with enhanced performance;
2. Modelling the Solid-Solid Interfaces within ASSBs; and
3. Developing Atomic Layer Processing (ALP) approaches for ASSB Applications.

We are seeking a motivated Research Fellow eager to contribute to cutting-edge research in this dynamic field. The successful candidate will possess a background in computational chemistry, physics, computer science, or related disciplines. They will utilise advanced computational modelling techniques, contributing to their advancement, to conduct research on atomistic modelling and discovery of ASSB materials. Additionally, they will characterise various properties using first-principles methods, establishing a direct link with experimental work conducted by collaborators. These tasks necessitate computations conducted on local and national high-performance computing (HPC) facilities.

Our research is closely aligned with leading experimental and computational experts from the University of Warwick (Chemistry and WMG), Cambridge, Oxford, as well as international collaborators from the Netherlands and Germany. Our group also cooperates with industrial partners, including OxfordPV, Intel and Merck. The successful individual will have opportunities to engage with these collaborators during their tenure.

Selected Publications: [1] J. Mater. Chem. A, 2024, [2] Adv. Mater., 2023, [3] J. Am. Chem. Soc., 2022, [4] Carbon, 2022 [5] Phys. Rev. Mater., 2020; [6] J. Am. Chem. Soc., 2020; [7] ACS Nano, 2017; *Copies are available upon request; also see my Scholar profile.

This position is funded by an Engineering and Physical Sciences Research Council (EPSRC) grant (EP/T026138/1). The post is initially funded for 12 months, with the possibility of extension for another year subject to the securing of further funding. The post-holder will be supported and encouraged to write their own applications for external funding, e.g. EPSRC Post-doctoral Researcher, Leverhulme, and so on.

About You  

An ideal candidate will:

• Possess self-motivation and independence in their research.
• Hold a background in computational chemistry and/or physics or a related field.
• Demonstrate proficiency in computational modelling of materials at the atomic level, utilising methods such as Density Functional Theory, machine learning, or similar approaches.
• Excel in communication, both written and verbal, as demonstrated by a track record in publications and presentations.
• Have expertise in programming (scripting/coding), and using high-performance computing resources (DESIRABLE).
• Have engaged in collaborations with experimental and/or theoretical peers (DESIRABLE).

For further information regarding the skills required for this role please see the personal specification section of the attached job description.

CLOSING DATE:  21/07/2024 at 11.55pm

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. You will be routed to this when you click on the Apply button.

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