Research Fellow in Crystal Structure Prediction

University of Southampton - Computational Systems Chemistry

A Research Fellow position is available in the School of Chemistry at the University of Southampton working in the research group of Professor Graeme Day, as part of a team developing methods and applications of crystal structure modelling. The research project is in collaboration with Professor Andrew Cooper (University of Liverpool) and forms part of the Leverhulme Centre for Functional Materials Design, recently funded by the Leverhulme Trust. You will apply and develop the research group’s computational methodologies for crystal structure and property prediction to guide the experimental discovery of novel functional materials. The work will build on our work recently published in Nature(2017) 543, 657-664, Nature Chemistry (2017), 9, 17-25, ACS Central Science (2017) 3, 734-742 and the Journal of Materials Chemistry C (2017) 5, 7574-7584.

Applications are invited from candidates having, or about to obtain a *PhD in chemistry, physics, or a related area, with a solid grounding in computational chemistry. You are expected to have an excellent work ethic and commitment to achieve the project aims, as well as excellent organisational skills in order to manage the research project on a day to day basis. You will also have opportunities to develop your supervision, writing, and communication skills. Duties will also include assisting in the training and supervision of PhD and undergraduate project students.

 *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.

You will be based in the computational systems chemistry sector in the School of Chemistry at the University of Southampton. Chemistry at Southampton has a national and international reputation for excellence. The university hosts excellent high performance computing facilities ( and the project will also make use of national computing resources.

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

For further information about the Day research group and their research, see:

For information about Chemistry at Southampton see:

For informal enquiries, please contact Professor Graeme Day,

About the Leverhulme Centre for Functional Materials Design.

The Centre is one of only 4 such centres funded in the UK and brings together chemical knowledge with state-of-the-art computer science and automated technologies to develop a new approach to revolutionise the design of functional materials at the atomic scale.

 The centre is led by the University of Liverpool and involves a world leading multidisciplinary team including partners from the University of Southampton, Imperial College, the Hartree Centre, Diamond Light Source, the Cambridge Crystallographic Data Centre, King Abdullah University of Science and Technology, and the Max Planck Institute for Microstructure Physics.

Application procedure:

You should submit your completed online application form at The application deadline will be midnight on the closing date stated above. If you need any assistance, please call Suzanne Stone (Recruitment Team) on +44 (0) 23 8059 4043. Please quote reference 911717EB  on all correspondence.

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