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

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

Abstract Metal-organic frameworks (MOFs) exhibit great promise for CO2 capture. However, finding the best performing materials poses computational and experimental grand challenges in view of the vast chemical space of potential building blocks. Here, we introduce GHP-MOFassemble, a generative artif...

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Bibliographic Details
Main Authors: Hyun Park, Xiaoli Yan, Ruijie Zhu, Eliu A. Huerta, Santanu Chaudhuri, Donny Cooper, Ian Foster, Emad Tajkhorshid
Format: Article
Language:English
Published: Nature Portfolio 2024-02-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-023-01090-2

Internet

https://doi.org/10.1038/s42004-023-01090-2

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