PhD Studentship: Guiding the discovery of new materials using crystal structure prediction

Project title: Guiding the discovery of new materials using crystal structure prediction  

Supervisory Team: Prof. Graeme Day

Project description

A fully funded PhD studentship is available in the area of computational materials discovery, as part of a prestigious international Synergy grant funded by the European Research Council. The project, ‘Autonomous Discovery of Advanced Materials’, aims to revolutionise the way that new materials are discovered by combining computational simulations, robotics and materials synthesis. 

Within this studentship, you will develop computational methods that can guide the discovery of new materials. Computational methods are developing rapidly in this area and you will join an internationally-leading group in the development and use of crystal structure prediction (CSP) methods. The project will develop the use of CSP to guide computer-led discovery of new molecules with designed properties, in areas including organic semiconductors, photocatalysts and porous materials. The student will develop software and also be involved in collaborations with lab-based materials discovery, where the computational results are used to guide robots to perform large-scale experiments.

The project is based in the computational materials discovery research group led by Prof. Graeme Day (http://www.crystalstructureprediction.net) in the School of Chemistry at the University of Southampton, who have pioneered the use of CSP for the discovery of functional molecular materials. You will be part of a multi-disciplinary team which includes collaborators at the University of Liverpool and Rostock University. Through these collaborations, you will interact with other computational chemists, synthetic chemists and engineers developing the use of robots in the materials chemistry laboratory.

Applicants should hold, or expect to obtain, a good degree (equivalent to a UK first or upper second class) in chemistry, materials science or a related discipline. We are looking for candidates with an enthusiasm for research, multidisciplinary collaboration and tackling challenging problems through teamwork. You do not need to have experience with crystal structure prediction methods. Experience with computational chemistry and programming would be an advantage, as well as excellent communication skills.

Entry Requirements

A very good undergraduate degree (at least a UK 2:1 honours degree, or its international equivalent).

Closing date: applications should be received no later than 31 August 2023 for standard admissions, but later applications may be considered depending on the funds remaining in place.

Funding: For UK students, Tuition Fees and a stipend of £17,668 tax-free per annum for up to 3.5 years.

How To Apply

Apply online: Search for a Postgraduate Programme of Study (soton.ac.uk). Select programme type (Research), 2023/24, Faculty of Physical Sciences and Engineering, next page select “PhD Chemistry (Full time)”. In Section 2 of the application form you should insert the name of the supervisor Graeme Day

Applications should include:

• Research Proposal
• Curriculum Vitae
• Two reference letters
• Degree Transcripts/Certificates to date

For further information please contact: feps-pgr-apply@soton.ac.uk

The School of Chemistry is committed to promoting equality, diversity inclusivity as demonstrated by our Athena SWAN award. We welcome all applicants regardless of their gender, ethnicity, disability, sexual orientation or age, and will give full consideration to applicants seeking flexible working patterns and those who have taken a career break. The University has a generous maternity policy, onsite childcare facilities, and offers a range of benefits to help ensure employees’ well-being and work-life balance. The University of Southampton is committed to sustainability and has been awarded the Platinum EcoAward.

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