most citedA generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture

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cond-mat.mtrl-sci2023★ 102 cited

A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture

Hyun Park, Xiaoli Yan, Ruijie Zhu +5

Metal-organic frameworks (MOFs) exhibit great promise for CO2 capture. However, finding the best performing materials poses computational and experimental grand challenges in view…