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Research Associate in Computational Supramolecular Materials Discovery

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< img src="" class=" ff-og-image-inserted" > Location: White City Campus

Job Summary

A Research Associate position in Computational Supramolecular Materials Discovery is readily available within the group of Dr. Kim Jelfs (jelfs-group. org) at the Department of Chemistry. You will deal with the application of computational chemistry and expert system strategies for the discovery of brand-new functional supramolecular products constructed from organic foundation. The products you will study might consist of porous molecular products, covalent natural structures and permeable natural polymers, interlocked particles. The applications of the materials will include for molecular separations, consisting of in membranes, selective binding, catalysis and for sensing.

This belongs to a more comprehensive ERC-funded task, and you will work within the team of other Research Associates and PhD trainees. Your role within this team will be a knowledge in modelling materials developed from natural foundation, including both structure and home forecast and you will have an interest in using artificial intelligence techniques, consisting of machine learning, in this location. A crucial focus of the research will be the advancement of a method that will not only forecast optimum materials, however also products that can be successfully synthesised in the lab.

This position will include both the advancement and application of software application composed in Python and the use of existing computational chemistry software. There will be a chance to help in the guidance of PhD prospects and undergraduate students dealing with these subjects. The function will also include close interactions with both speculative and computational partners.

Key duties and responsibilities

  • Advancement of methods for appealing materials that have the possible to be synthesised in the lab of speculative partners
  • Development and application of software application composed in Python and making use of existing computational chemistry software
  • Establish and validate software for the effective forecast of the assembly and structure of a series of supramolecular products, including permeable molecular materials, polymeric products, or interlocked particles
  • Check out how material performance in a series of applications can be forecasted with, where possible, basic descriptors
  • Excellent spoken and written interaction skills, consisting of the ability to compose clearly and succinctly for publication
  • The capability to organise your own work and prioritise due dates.

Essential requirements

  • To hold, or will hold a PhD in Chemistry, or a closely associated subject
  • Development of software application for materials or chemistry
  • Modelling systems constructed from organic building blocks
  • Successful partnerships with experimental scientists
  • The use of expert system in chemistry
  • Supramolecular or products chemistry and their applications
  • Skilled in Python programming

Further Information

The position is available right away and will be for 12 months. You will be based at White City Campus.

* Candidates who have actually not yet been formally granted their PhD will be designated as a Research Assistant within the salary range ₤ 36,694 – ₤ 39,888 per annum

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

For extra details please contact Dr. Kim Jelfs ([email protected]!.?.!). Website: jelfs-group. org and see also associated research centres: The Institute for Digital Molecular Design and Fabrication(DigiFAB), Thomas Young Centre for products modelling(, Centre for Plastic Electronics( plastic-electronics)and the Barrer Centre for breakthrough separation products, science and engineering( barrer-centre). Closing date: 20/06/2022 To use, visit and search by the task recommendation NAT0116 Click Here to Apply For The Job



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