PhD Studentship: Unlocking the Mysteries of Metallic Phase Transitions

Supervisors: Dr Livia Partay, Dr Albert Bartok
Project Partner: AWE NST

Join a PhD project that goes beyond state-of-the-art to explore the intriguing 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 that remain poorly understood with exotic structures emerging that are not seen in any other material.

This project combines cutting-edge sampling techniques with machine-learned potentials for accurate phase predictions, offering considerable opportunity 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. 

This project delves into the fascinating phase behaviour of potassium under extreme conditions, where the material at high pressures and temperatures transforms into a variety of complex and unexplored structures. How do changes in the electronic structure lead to the emergence of unique structural behaviour? By leveraging cutting-edge computational techniques, such as nested sampling, structure search and machine-learning, you will tackle the challenge of creating interatomic models that are capable of accurately predicting thermodynamical properties. This is crucial to gain insight and understanding of potassium’s intricate phase behaviour: its unusual melting properties, liquid phases and exotic host-guest crystal structures. The project offers an exciting testbed for new methods and tools, and your research could pave the way for a deeper understanding of alkali metals and beyond.

This project is part of the vibrant Centre for Doctoral Training in Modelling Heterogeneous Systems (HetSys II CDT) at the University of Warwick, where you’ll be immersed in a community dedicated to computational science innovation. With expert training in atomistic simulation, machine learning, and high-performance computing, HetSys equips you with the practical skills and theoretical foundations to excel in both academia and industry. Here, you’ll benefit from state-of-the-art facilities and a culture that fosters collaboration, supported by extensive research software engineering resources. The project is supported by AWE-NST.

Find out more: https://warwick.ac.uk/fac/sci/hetsys/themes/projects2025

Please note that due to the nature of our project partner's work, nationality restrictions apply to applications for this project.

About us:

The EPSRC Centre for Doctoral Training in Modelling of Heterogeneous Systems (HetSys), based at the University of Warwick, offers an exceptional opportunity for students from physical sciences, life sciences, mathematics, statistics and engineering backgrounds who are passionate about applying their mathematical expertise to tackle complex, real-world problems.

By fostering these skills, HetSys trains the next generation of experts to challenge the cutting-edge of computational modelling in diverse, heterogeneous systems. These systems span a wide range of exciting research areas, including nanoscale devices, innovative catalysts, superalloys, smart fluids, space plasmas, and more.

HetSys offers a vibrant and supportive research environment, ideal for nurturing creativity and academic growth. Our interdisciplinary student community spans multiple cohorts, each at different stages of their PhD journey, creating a rich, collaborative atmosphere.

Funding Details

Additional Funding Information

Awards for both UK residents pay a stipend to cover maintenance as well as paying the university fees and a research training support. The stipend is at the standard UKRI rate.

For more details visit: https://warwick.ac.uk/fac/sci/hetsys/apply/funding/ 

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