Aron Walsh ( Imperial College London, UK) New Adventures in Materials Modelling

After providing a snapshot of the current status and future direction in the theory and simulation of molecules and materials, the lecturer illustrates developments using recent progress in the exploration of hybrid organicinorganic frameworks, where the interplay two distinct chemical building blocks can result in emergent behaviour. This includes the report of a metallic metalorganic framework (MOF), and engineering redoxactivity in the organic ligands and inorganic clusters. Current bottlenecks in th