PhD Studentship: Machine Learning to Unlock the Mysteries of Metallic Phase Transitions

University of Warwick - Centre for Doctoral Training in the Modelling of Heterogeneous Materials (HetSys), School of Engineering

About the project:

Machine Learning to Unlock the Mysteries of Metallic Phase Transitions

Supervisor: Dr Livia Pártay, University of Warwick

Join a PhD project that goes beyond state-of-the-art to explore the phase behaviour of potassium and unlock new understanding of alkali metals' unique physical properties. At high pressures and temperatures, these metals reveal complex phase transitions and exotic crystalline structures that remain poorly understood despite extensive experimental investigations.

This project combines cutting-edge sampling techniques with developing machine-learned potentials for accurate phase predictions, offering opportunities for method development with broad, long-term impact. Not only will you gain insights into fundamental atomistic properties of alkali metals, but you'll also contribute to pioneering computational tools that extend far beyond potassium.

About HetSys: Harnessing Data, Modelling and Simulation for Real‑World Impact

HetSys (Centre for Doctoral Training in Modelling of Heterogeneous Systems) at the University of Warwick is an innovative, interdisciplinary fully funded PhD programme that brings together science, engineering, and mathematics to tackle some of the most pressing challenges of our time.

• Big Questions, Real Impact – From climate modelling and sustainable energy to advanced materials and biomedical systems, HetSys projects apply cutting‑edge computational and mathematical techniques to problems with global significance.
• Interdisciplinary Training – Students gain expertise across physics, engineering, computer science, and applied mathematics, developing versatile skills that open doors to both academia and industry.
• Collaborative Environment – Work alongside leading researchers and industry partners in a supportive, vibrant community that values curiosity, creativity, and collaboration.
• Future‑Focused Careers – HetSys graduates are equipped with highly sought‑after skills in modelling, simulation, and data science, preparing them for impactful careers in research, technology, and beyond.

If you’re excited by the idea of using advanced modelling and simulation to solve complex, real‑world problems, HetSys offers the perfect environment to push boundaries and make a difference.