PhD Studentship: Machine Learning Accelerated Electronic Transport Calculations for Complex Materials University of Warwick in United Kingdom

[Full University fees, £20,780 tax-free stipend (UKRI rate for 2025/26), and research training budget for UK, EU, and International applicants.]

PhD Studentship: Machine Learning Accelerated Electronic Transport Calculations for Complex Materials

The University of Warwick is offering a fully funded PhD studentship within the HetSys Centre for Doctoral Training, focusing on the application of machine learning to accelerate electronic transport calculations in complex materials and alloys. Supervised by Professor Neophytos Neophytou, this interdisciplinary project leverages advanced computational techniques, including machine learning (ML), density functional theory (DFT), and Boltzmann transport methods, to predict and scale the computation of electronic properties in materials with diverse electronic structures. The project benefits from rich experimental data sourced from literature and project partners, supporting robust model validation and impactful research outcomes.

HetSys is an innovative doctoral training centre that unites science, engineering, and mathematics to address global challenges through modelling and simulation. Students in HetSys gain expertise across physics, engineering, computer science, and applied mathematics, developing versatile skills for careers in academia, industry, and beyond. The collaborative environment encourages creativity and teamwork, with opportunities to work alongside leading researchers and industry partners.

This studentship is ideal for candidates passionate about using computational modelling and simulation to solve real-world problems in energy, sustainability, medicine, and advanced materials. The programme provides comprehensive interdisciplinary training, preparing graduates for future-focused careers in research and technology.

Funding: The studentship covers full University fees for UK, EU, and International applicants, a research training budget, and a tax-free stipend of £20,780 (UKRI rate for 2025/26), equivalent to the national living wage.

Eligibility: Applicants should hold or expect to obtain a first or upper second class degree (or equivalent) in physics, materials science, engineering, mathematics, computer science, or a related discipline. A strong background in computational modelling, simulation, and data science is highly desirable. International applicants must meet the University of Warwick's English language requirements.

Application Window: Applications are open until 28 January 2026. Interested candidates should apply via the HetSys application portal, ensuring all required documents are submitted before the deadline.

For more information and to apply, visit: HetSys Projects 2026.