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News/Large language model agents accelerate inverse design of metal-organic frameworks for gas separation
arxiv
PublishedJuly 14, 2026 at 4:00 AM

Large language model agents accelerate inverse design of metal-organic frameworks for gas separation

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arXiv:2607.10559v1 Announce Type: new Abstract: Metal-organic frameworks (MOFs) offer a highly modular platform for adsorptive gas separation, yet their vast reticular design space makes inverse design difficult under simultaneous constraints of chemical validity, separation performance, and structu

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