Research Fellow in Computational Materials Discovery

Digital Materials Discovery Researcher

Full Time Fixed Term until 30/11/2026

You will be part of a groundbreaking EPSRC-funded Programme Grant: "Digital navigation of chemical space for function"; this collaborative project unites leading research groups from the Universities of Southampton, Liverpool, and Imperial College London. Our mission is to revolutionise the discovery of functional materials with unprecedented chemical and structural diversity by fusing physical and computer science.

As a key member of our interdisciplinary team, you will:

• Pioneer the use of crystal structure prediction methods for organic molecules;
• Accelerate materials discovery by informing experimental programs;
• Design and execute large-scale calculations that push the boundaries of computational materials science;
• Integrate machine learning methods to accelerate computational exploration, and to enhance interpretation of results;
• Develop cutting-edge software to support our digital discovery pipeline.

Impact and Vision

You will play a crucial role in shaping the future of materials discovery. Through regular team meetings, you'll contribute to the project's overarching vision, influencing developments in:

• Advanced computation techniques
• Robotics and automation in materials science
• Cutting-edge materials characterisation methods

To be successful you will have a PhD* or equivalent professional qualifications and experience in Chemistry, Materials Science, Physics or a related area. In addition, you will demonstrate sound computing skills and detailed understanding of computational chemistry methods. Experience in the use of computer simulations is essential, as well as excellent verbal and written communication skills and a desire and ability to work as part of an interdisciplinary team. Experience in applying computational methods to materials is desirable, as is experience in managing software development and experience in contributing to large software projects. 

Southampton is one of the best places in the UK for chemistry teaching and research. Chemistry at Southampton has a national and international reputation for excellence. The university provides an excellent environment for computational research and provides access for all researchers to one of the largest high-performance computational facilities in the UK.

For additional information or informal enquiries, contact:

Professor Graeme Day, G.M.Day@southampton.ac.uk.

Please include a CV and covering letter in your application. Your cover letter should outline your view of how you will contribute to the field of computational materials discovery.

Equality, diversity and Inclusion is central to the ethos in Chemistry. In recognition of our continued commitment to improving equality for women in science we were awarded an Athena SWAN Silver award in 2014 a and a second Silver award in 2017. Chemistry considers applicants that wish to work flexibly including part-time and due consideration will be given to applicants who have taken a career break. The University has a generous maternity policy** onsite childcare facilities For further information please visit  https://www.southampton.ac.uk/chemistry/about/Equality/index.page

At the University of Southampton, we value diversity and equality.

*Applications will be considered from candidates who are working towards or nearing completion of a relevant PhD qualification. The title of Research Fellow will be applied upon completion of PhD.  Prior to the qualification being awarded the title of Senior Research Assistant will be given.

**subject to qualifying criteria

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