Developing Diffraction Analysis for Efficient Structural Characterisation in Materials Discovery

Structural characterisation is a fundamental element of the materials discovery process. It is key in enabling us to not only work out what the material is, but also to explain its physical properties. Working with computational and experimental scientists in the Leverhulme Research Centre and Materials Innovation Factory, this project will focus on developing new diffraction analysis methods that integrate with automated synthesis and formulation platforms. This analysis will rapidly provide structural information on new materials to streamline materials discovery and design workflows. The research will involve experimental powder diffraction, parallel synthesis and formulation methods, and the development of computational methods for analysis of diffraction data.

This PhD Studentship is part of The Leverhulme Centre for Functional Materials Design at the University of Liverpool. The Centre brings together chemical knowledge with state-of-the-art computer science to develop a new approach to the design of functional materials at the atomic scale. Addressing this core design challenge will help society tackle problems such as carbon emissions and clean energy supply, although the benefits are relevant to any sector that uses materials with atomic or molecular scale function.

Qualifications:
Candidates should have an undergraduate degree in Chemistry or Materials Science (or equivalent). Experience of powder diffraction and a scripting language, e.g. Python or Perl, would be advantageous.