Graph neural network predictions of metal organic framework CO2 adsorption properties

The increasing CO2 level is a critical concern and suitable materials are needed to capture such gases from the environment. While experimental and conventional computational methods are useful in finding such materials, they are usually slow and there is a need to expedite such processes. We use At...

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Bibliographic Details
Main Authors: Choudhary, K. (Author), Kusne, A.G (Author), McDannald, A. (Author), Ortiz-Montalvo, D.L (Author), Siderius, D.W (Author), Yildirim, T. (Author)
Format: Article
Language:English
Published: Elsevier B.V. 2022
Subjects:
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