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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
