Analysis of energy landscapes of molecular crystal structures employing combinatorial andtopological methodologies. (Reference: Goulermas LRC121)

This is an opportunity for an exciting cross-disciplinary project at the interface between computer science, mathematics and materials chemistry. The work will involve the development of novel combinatorial and topological modelling and optimisation algorithms for applications in chemistry. The models will be used to study crystal structure energy landscapes whose understanding requires an efficient search by combinatorial optimisation algorithms; the results of these calculations will be used to guide the discovery of new, functional materials. These models will also be generically applicable to problems, such as modelling data knowledge and large-scale data visualisation, object ordering and graph matching. The supervisory team has a strong track record in the defining ingredients of the underlying work and will closely contribute to the originality of the research. Publications in top-tier theoretical and application-oriented venues will be expected. The candidate should have at least a 2.1 BSc in Computer Science, Mathematics or related discipline, be proficient with linear algebra and calculus, knowledgeable in discrete and continuous optimisation methods, and also competent in scientific computer programming (Matlab, R, Python, or C++).

Qualifications: Candidates should have BSc (preferably with an MSc) in: Mathematics, Computer Science, Physics or Engineering with at least a 2.1 from a reputable institution.

Please apply by completing the online postgraduate research application form here:https://www.liverpool.ac.uk/study/postgraduate-taught/applying/online/
Please ensure you quote the following reference on your application: Analysis of energy landscapes of molecular crystal structures employing combinatorial and topological methodologies. (Reference: Goulermas LRC121