Computational Chemistry Based Discovery of New Molecular Materials

We work on the design and discovery of new materials using a range of tools from computational chemistry to big data analysis, all rooted in the understanding of the fundamental chemical and physical processes. We are currently working on semiconducting materials (polymeric and molecular) and energy materials (hybrid organic-inorganic) but we will be expanding in other directions in parallel with this project. This project is suitable for students who have been interested in the most quantitative aspect of chemistry or material science, e.g. physical chemistry, spectroscopy, analytical chemistry. Through this project the student will be prepared for a scientific career in the high-demand areas of material discovery, big data analysis or high performance computing.