PhD project: Machine learning accelerated studies of dense planetary matter
Project description
Extreme conditions of pressure and temperature can create exotic states of matter such as superionic ice, probably the most common form of water in the known universe. Deep inside icy planets' mantle regions, as Mbar pressures are approached, compression work becomes equal to bond energies and planetary matter is characterised by significant chemical changes, dissociation of molecules, phase transitions that might cross planetary adiabats, and uncertainties about miscibility limitations. This can lead to stable stratification inside planets with distinct electronic and thermal transport properties in different layers. In the absence of direct observational data, extracting these properties from computation is crucial for planetary modelling and our understanding of the solar system's formation and evolution. Accurate computational modelling of these materials usually relies on electronic structure calculations, but these are restricted in terms of system size, chemical complexity, and run time.
In this project, we will utilise machine learning approaches to train accurate and transferable interatomic potentials for matter at planetary conditions. We will create training sets for the machine learning process from random structure searching and molecular dynamics configurations. We will use those potentials to simulate specific mixtures within the H-C-N-O chemical space at conditions relevant inside icy planets, predict observables accessible to laboratory high-pressure experiments, and compare to astronomical observations. Calculations will, amongst others, utilise national resources such as the ARCHER2 supercomputer. The project will likely interface with experimental collaborators within Edinburgh's Centre for Science at Extreme Conditions.
Project supervisor
- Professor Andreas Hermann (School of Physics & Astronomy, University of Edinburgh)
The project supervisor welcomes informal enquiries about this project.
Find out more about this research area
The links below summarise our research in the area(s) relevant to this project:
- Find out more about Extreme Conditions.
- Find out more about Computational Materials Physics.
- Find out more about the Institute for Condensed Matter and Complex Systems.
What next?
- Find out how to apply for our PhD degrees.
- Find out about fees and funding and studentship opportunities.
- View and complete the application form (on the main University website).
- Find out how to contact us for more information.
More PhD projects
- Browse other Extreme Conditions projects.
- Browse other Computational Materials Physics projects.
- Browse other Institute for Condensed Matter and Complex Systems projects.
- Browse all PhD research opportunities in the School of Physics & Astronomy.
- Browse PhD research opportunities elsewhere in the University of Edinburgh.