PhD position available in Experimental and Computational Organic Materials Discovery

About the Project

A PhD position as part of a Royal Society Faraday Discovery Fellowship is available for an October 2026 start date. The projects will focus on the use of both experimental (automated) chemistry to collect data, alongside computational chemistry and data-driven approaches to accelerate the discovery of systems including potentially organic cages, ionic liquids, and redox-active molecules for batteries. The project will therefore allow the student to focus on organic and supramolecular synthesis, with opportunities to receive training in the use of automated technologies and applying these in the project to target a wide range of possible compounds and for screening a range or properties. This will be alongside training in the use of computational chemistry and data-driven (machine learning) methods.

Funded by a Royal Society Faraday Discovery Fellowship, you would be working on the project "Predicting synthesisable materials: bridging the gap between computation and experiment", working at the interface of Chemistry and Artificial Intelligence (AI). This is one of just seven long-term £8M projects funded in the UK (royalsociety.org/news/2025/08/faraday-discovery-fellowship). You will be part of a larger team of Research Associates, PhD students, and a technician, consisting of experimental chemists, computational chemists, and computer scientists specialising in AI.

The position is available to candidates holding, or about to hold, a Masters degree in Chemistry, or in a related field if the applicability of the experience can be demonstrated. A background in one of the following is desirable, but not essential, as full training in the required techniques will be provided: supramolecular chemistry, functional materials, and/or high-throughput techniques/automation. Full funding is available for UK Home students.

Interested applicants are encouraged to contact both Prof. Kim Jelfs (k.jelfs@imperial.ac.uk) and Dr. Becky Greenaway (r.greenaway@imperial.ac.uk) by email, describing their interest in the field and any prior research experience along with a CV. Applicants should also clearly state how they are eligible for Home fee status (for example through UK citizenship or because they hold Settled Status, and more information about fee status can be found here: https://www.imperial.ac.uk/study/fees-and-funding/tuition-fees/fee-status/).

Funding Notes

Funded through the Royal Society Faraday Discovery Fellowship.