Functional materials discovery using artificial intelligence

Key facts

• Opens: Sunday 2 February 2025
• Number of places: 1
• Duration: 36-48 months

Eligibility

Successful applicants should have a first or upper second undergraduate degree or Master’s degree in a relevant subject, for example:

Previous knowledge of quantum chemistry methods, AI models or Python programming is desirable but not necessary.

• Chemistry
• Physics
• Computer Science
• Maths and Statistics
• Physical Sciences
• Materials Science

Project Details

This PhD studentship in computational chemistry (materials discovery) is open at the University of Strathclyde commencing October 2025. This PhD will involve conducting cutting-edge research to utilize Artificial Intelligence (AI) in expediting the discovery of functional molecular materials crucial for a wide range of applications, spanning from renewable energy technologies to advanced electronics. Specifically, by employing advanced physical models and harnessing recent advancements in AI, tailored automated workflows will be developed for high-throughput screening of materials databases, effectively directing exploration towards materials possessing desired properties. Consequently, this research will accelerate the discovery and optimization of functional materials, thereby advancing the field of materials science.

This computational research will be supervised by Dr Tahereh Nematiaram (Department of Pure and Applied Chemistry) and Dr Yashar Moshfeghi (Department of Computer and Information Sciences), providing the student with a multidisciplinary and award-winning research environment. You will be based at the Strathclyde Computational and Theoretical Chemistry Hub (SCoTCH), a centre of excellence in computational molecular science. This hub provides modern computational laboratories and access to high-performance computing facilities, including graphic processing units (GPUs). With a large community of researchers, state-of-the-art lab space, and advanced computing resources, the centre offers a world-class environment for research in theoretical and computational chemistry, as well as molecular informatics.

Funding details

While there is no funding in place for opportunities marked "unfunded", there are lots of different options to help you fund postgraduate research. Visit funding your postgraduate research for links to government grants, research councils funding and more, that could be available.

Dr Tahereh Nematiaram

Strathclyde Chancellor's Fellow Pure and Applied Chemistry

Primary supervisor: Dr Tahereh Nematiaram

Secondary supervisor: Dr Yashar Moshfeghi

Apply

To apply for this studentship please email the following to tahereh.nematiaram@strath.ac.uk :

Please note that applications will be processed on a 'first come, first served' basis, and the hiring process will conclude once a suitable candidate has been identified.

Number of places: 1

To read how we process personal data, applicants can review our 'Privacy Notice for Student Applicants and Potential Applicants' on our Privacy notices' web page .

• Your CV;
• A brief cover letter outlining your motivation and experience;
• Your degree certificate(s) and transcript(s), if relevant;
• Provide references from two individuals – please contact your referees and ask them to send them directly to tahereh.nematiaram@strath.ac.uk from their email address.

Contact us

For further information about the studentship please email tahereh.nematiaram@strath.ac.uk and yashar.moshfeghi@strath.ac.uk .

Research areas