Fully Funded PhD in Computational Modelling of Materials and Nanoelectronics at University of Warwick University of Warwick in United Kingdom

The University of Warwick’s EPSRC Centre for Doctoral Training in Modelling of Heterogeneous Systems (HetSys CDT) is offering a fully funded 4-year PhD studentship in the Department of Chemistry, co-funded by Merck Electronics and Merck KGaA, Darmstadt, Germany. The project is co-supervised by Bora Karasulu, Ellen Luckins, and Lukasz Figiel, and will commence in October 2026.

This PhD project focuses on multi-scale computational modelling, integrating quantum chemistry, machine learning, molecular dynamics, and fluid mechanics to investigate thin film formation during flowable chemical vapour deposition (FCVD) for next-generation nanoelectronics. The research aims to link precursor chemistry with FCVD process conditions to explain and improve film quality, in close collaboration with Merck’s experimental and computational teams. The project is ideal for students passionate about computational modelling, materials science, and nanoelectronics.

HetSys CDT offers over 10 fully funded PhD studentships annually across physical sciences, engineering, and mathematics. Students benefit from world-class interdisciplinary training, access to high-performance computing, industry engagement, and a supportive cohort-based research community. Projects span quantum, atomistic, and continuum modelling, with strong links to industry and opportunities for internships.

Applicants must have at least a 2(i) Honours or integrated Master’s degree in physical sciences, mathematics, or engineering. International applicants are welcome and must hold equivalent qualifications. The funding package covers full tuition fees, a tax-free stipend (£20,780/year), research training support, travel budget, and industry engagement opportunities. The application deadline is 28 January 2026, with interviews on 25 February 2026. For more information and to apply, visit the HetSys CDT website.

Shape the future of computational science and materials engineering by joining a vibrant research community at the University of Warwick. Explore advanced topics such as quantum chemistry, machine learning, molecular dynamics, thin film deposition, and nanoelectronics, and gain skills highly sought after in academia and industry.