Metal Organic Frameworks, or MOFs for short, are a class of materials that consist of organic molecules that link together metal centres to form an ordered, often porous solid. This multi-component nature affords MOFs a great versatility in terms of their internal structure and properties and thus a wide array of potential use cases. Unfortunately, at least from the point of a theorist, their metal-organic nature also makes them a pain in the neck to treat. Especially when comparing theoretical results to experiment it often turns out that MOFs are significantly less well behaved than advertised.
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