Research Associate in Computational Supramolecular Materials Discovery

About the role:

A Research Associate position in Computational Supramolecular Materials Discovery is available within the group of Prof. Kim Jelfs (jelfs-group.org) at the Department of Chemistry, Imperial College London. You will work on the application of computational chemistry and artificial intelligence techniques for the discovery of new functional supramolecular materials built from organic building blocks. The materials you will study could include porous molecular materials, covalent organic frameworks and porous organic polymers, interlocked molecules. The applications of the materials will include for molecular separations, including in membranes, selective binding, catalysis and for sensing.

This is part of a broader EPSRC-funded project, and you will work within a team of other Research Associates and PhD students across several universities. Your role within this team will be an expertise in modelling materials built from organic building blocks, including both structure and property prediction and you will have an interest in the use of artificial intelligence techniques, including machine learning, in this area. A vital focus of the research will be the development of an approach that will not only predict optimal materials, but also materials that can be successfully synthesised in the laboratory.

This position will involve both the development and application of software written in Python and the use of existing computational chemistry software. There will be an opportunity to assist in the supervision of PhD candidates and undergraduate students working on these topics. The role will also involve close interactions with both experimental and computational collaborators.

What you would be doing

• Development of approaches for promising materials that have the potential to be synthesised in the laboratory of experimental collaborators
• Development and application of software written in Python and the use of existing computational chemistry software
• Develop and validate software for the successful prediction of the assembly and structure of a range of supramolecular materials, including porous molecular materials
• Explore how material performance in a range of applications can be predicted with, where possible, simple descriptors

What we are looking for:

• Hold, or near completion of a PhD in Chemistry or a closely related discipline, or equivalent research, industrial or commercial experience
• Excellent verbal and written communication skills, including the ability to write clearly and succinctly for publication
• The ability to organise your own work and prioritise deadlines.

What we can offer you:

• The opportunity to continue your career at a world-leading institution and be part of our mission to continue science for humanity.
• Grow your career: Gain access to Imperial’s sector-leading dedicated career support for researchers as well as opportunities for promotion and progression
• Sector-leading salary and remuneration package (including 39 days off a year and generous pension schemes).

Further Information

Candidates who have not yet been officially awarded their PhD will be appointed as a Research Assistant.

To apply for the position, please complete the online application form.

For additional information please contact Prof. Kim Jelfs k.jelfs@imperial.ac.uk 

Website: jelfs-group.org and see also related research centres: EPSRC AI hub for Chemistry (AIchemy), the Institute for Digital Molecular Design and Fabrication (DigiFAB), Thomas Young Centre for materials modelling (thomasyoungcentre.org), Centre for Plastic Electronics (imperial.ac.uk/plastic-electronics) and the Barrer Centre for breakthrough separation materials, science and engineering (imperial.ac.uk/barrer-centre).     

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