Computational Materials and Minerals
The Computational Materials and Minerals Group focuses on the use of atomistic methods to simulate the structure, properties and thermodynamics of solids and condensed phases. This involves interdisciplinary problems spanning chemistry, physics, materials science, mineralogy and geochemistry. Our aim is both to develop new computational models, as well as applying them to problems of both fundamental and technological relevance. Applications of our research span everything from molecular crystalline materials in the pharmaceutical sector through to crystallisation of biominerals from aqueous environments.
The Computational Materials and Minerals group is a member of two University research institutes:
Previously it was part of the Nanochemistry Research Institute.