Research Prime

Research Associate in Computational Chemistry (fixed-term)

Organisation Name: University of Bath
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Country: United Kingdom

Job Description:

We seek to recruit a research associate in computational chemistry, to work on a new collaborative and multidisciplinary project, “Catalytic Chemical Sorting of Intractably Mixed Plastics”, funded by the UK Engineering and Physical Sciences Research Council (EPSRC), and led by the University of Birmingham (Prof Andrew Dove), together with the University of Bath (Prof Antoine Buchard and Dr Matthew Grayson) and project partner WRAP (Waste and Resources Action Programme).

This is a fixed-term position for 36 months.

About the role:

There is an urgent global need to devise better strategies to recycle plastics, in particular complex plastics wastes in which the components cannot be readily separated by mechanical means or in which the specific combinations cause problems in the leading chemical recycling methodologies.

The aim of the project is to develop the concept of "catalytic chemical sorting" of polymers, in which the chemistry of different polymer backbones in different plastics is leveraged to allow the selective depolymerisation of one polymer in the presence of another, including from mixtures and blends.

Extension of this concept would enable the sequential, selective depolymerisation of complex plastic wastes.

To achieve this, we will focus on advancing catalytic systems for depolymerisation, using a hybrid computational and experimental approach to identify and develop lead systems that can achieve selectivity and be tolerant of the complexities of real plastic wastes, such as additives, impurities, contaminants, and implicit mixtures within the same plastic.

The present position (up to 36 months) will be based at the University of Bath, and co-supervised by Prof Antoine Buchard and Dr Matthew Grayson.

The post holder will carry out all aspects of computational modelling, including mechanistic studies and machine learning assisted design of new catalytic systems, and will work synergistically with their experimental counterpart at the University of Birmingham.

As a Research Associate in Computational Chemistry, you will:

  • Gain collaborative research experience in the use of reaction modelling and machine learning in the design of new catalytic systems for depolymerisation.
  • Write up research results for publication in scientific journals.
  • Disseminate your work through presentations at national and international conferences.
  • Help lead the research of our enthusiastic groups of researchers.
  • Have the opportunity to be the day-to-day supervisor of undergraduate and/or postgraduate research students.

We are looking for a highly motivated individual to join our groups.

Applicants must hold a PhD degree in computational chemistry or a related discipline and have some experience of programming (preferably Python).

Experience of working with experimental chemists and machine learning is also desirable.

About us:

The Department of Chemistry at the University of Bath is internationally renowned, with 99% of our research rated either world-leading or internationally excellent in the most recent REF exercise.

We offer a well-equipped and supportive department that provides an excellent environment for teaching, learning, and research.

The Department and the University are committed to providing a supportive and inclusive working environment. The Department holds an Athena SWAN Silver Award and we are working to further improve equality, diversity and inclusivity within the Department. We invite applications from candidates irrespective of their gender, age, disability, ethnicity, sexual orientation, or religious beliefs. We particularly welcome applications from women and other under-represented groups.

Application info:

For further information or an informal discussion about the position please contact Prof Buchard (a.buchard@bath.ac.uk) and Dr Grayson (M.N.Grayson@bath.ac.uk).

Applications should be accompanied by a full CV, and a cover letter (maximum 2 pages).

What we can offer you:

We aim to be an inclusive university, where difference is celebrated, respected and encouraged. We have an excellent international reputation with staff from over 60 different nations and have made a positive commitment towards gender equality and intersectionality receiving a Silver Athena SWAN award. We truly believe that diversity of experience, perspectives, and backgrounds will lead to a better environment for our employees and students, so we encourage applications from all genders, backgrounds, and communities, particularly from under-represented groups, and value the positive impact that will have on our teams. 

We are very proud to be an autism friendly university and are an accredited Disability Confident Leader; committed to building disability confidence and supporting disabled staff.

Find out from our staff what makes the University of Bath a great place to work. Follow us @UniofBath and @UniofBathJobs on Twitter for more information.

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Further details:


We are constantly seeking to reduce the unconscious bias that enters any assessment process, with the goal of creating an inclusive and equal assessment process. To support this, personal details will be removed from application forms at the initial shortlisting stage.



Posting Date: Dec 01, 2023
Closing Date:
Organisation Website/Careers Page: https://www.bath.ac.uk/jobs/Vacancy.aspx?ref=ED11204


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