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 organic-inorganic frameworks, where the interplay two distinct chemical building blocks can result in emergent behaviour. This includes the report of a metallic metal-organic framework (MOF), and engineering redox-activity in the organic ligands and inorganic clusters. Current bottlenecks in th