Unlocking the Mysteries of Metallic Phase Transitions
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.
Supervisors
Primary: Dr Livia Bartok-Partay, Chemistry
Dr Albert Bartok-Partay, Engineering/Physics
Project Partner: AWE NST
A transcript of the video is available by clicking this link - transcript opens in another windowLink opens in a new window
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.
How to apply
This is a fully-funded 4-year PhD position based in the HetSys Centre for Doctoral Training at the University of Warwick. All applications must be made through the University's postgraduate application form with a deadline of 20 January 2025. Please see our How to ApplyLink opens in a new window page for further details on the application process. For further information about student funding, the integrated HetSys training programme and what life is like in the HetSys CDT, please visit the Study with Us page.
Please note that due to the nature of AWE-NST's work, nationality restrictions apply to applications for this project.
If you need guidance on this please emailhetsys@warwick.ac.uk.