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.