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The Centre for Scientific Computing



I am a first-year student at the EPSRC CDT for Computational Methods for Materials Science. My research focuses on first principles crystal structure prediction, using a technique known as AIRSS (Ab-Initio Random Structure Searching). AIRSS is a powerful and flexible technique that uses the power of density functional theory to predict the ground state phases of materials, as well as their low-lying structural defects. I will be focusing on further developing the AIRSS method, as well as applying it to technological problems such as designing materials for batteries ab initio.

CDT student 2014-15
Mr Jamie  Wynn
Not available for consultancy