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PhD studentship in Quantum Mechanical and Machin ... (No replies)
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A competitively funded 3-year UK PhD studentship is available with the group of Prof Andrew J. Morris at the School of Metallurgy and Materials at the University of Birmingham, UK. The research group, currently comprising 4 graduate students with 3 post-doctoral fellows, uses first principles techniques to predict the structure and properties of materials using only computer simulation.
What do atoms do in an amorphous material? Amorphous materials are increasingly important technological materials, from flat-screen TVs to coatings in lithium-ion batteries. In this PhD our goal is understanding then optimising amorphous materials using quantum mechanics and machine learning.
Only when the position of the atoms in materials are known can we begin to model then optimise their functional properties. Amorphous materials have a problem: they lack periodicity in their structure, so that X-ray diffraction, the go-to experimental tool for understanding the position of atoms in a lattice does not work, and we are left in the dark.
In this project: we will develop new techniques to deal with disordered systems using high-throughput computation and machine learning on ensembles of structures, giving us insight into such materials at finite temperature and paving the way to an understanding of electron and ion transport. First principles spectroscopies such as EELS, XAS and NMR will be used to compare our predictions with experiment. We work closely with world-leading experimental groups to verify our predictions and aid further experiments. More details about the research group may be found at: http://www.andrewjmorris.org
Amorphous Al2O3 used as an important coating in lithium-ion batteries. Polyhedra are coloured to show the number of oxygen atoms (black dots) around each aluminium. Despite the apparent disorder, there is some hidden order – for example: there are no two- fold or seven-fold polyhedral present.
The project is anticipated to be a mix of code development, high-throughput computation, machine learning and liaising with experimental collaborators. There will be many opportunities for international travel. The precise project can be tailored somewhat to taste.
The candidate: will have a 1st class Undergraduate or Masters degree (or equivalent) in Physics, Chemistry, Materials Science or related discipline. A strong background with programming (e.g. python, C, C++) and/or solid-state materials would be advantageous.
Applications must be made through the university's on-line application system[1]: please provide a cover letter summarising your research interests and suitability for the position; the contact details of two people able to provide a letter of reference; and a full curriculum vitae. Please also send a copy of your full application to Andrew Morris directly. Queries may be directed to Andrew: [email protected].
[1] http://bit.ly/2PGGcU9