PhD Studentship - Machine learning methods in crystal structure prediction
University of Southampton
Southampton, Hampshire, UK
3d ago


Supervisory Team : Prof. Graeme Day

This project will develop computational methods to guide the discovery of new materials, combining state-of-the-art computational methods for crystal structure prediction (CSP) with machine learning approaches for interpreting the predicted crystal structure landscapes.

Advanced materials impact most aspects of our lives, including healthcare, energy production, data storage and pollution control.

However, the discovery of new advanced materials is often approached by trial-and-error experimentation. Computational methods are poised to change this by allowing researchers to test hypotheses on the computer, in advance of synthesis.

The computational materials discovery research group (

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