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Graph neural network predictions of metal organic framework CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e488" altimg="si38.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> adsorption properties

Kamal Choudhary, Taner Yildirim, Daniel W. Siderius, A. Gilad Kusne, Austin McDannald, Diana L. Ortiz-Montalvo

2022Computational Materials Science82 citationsDOIOpen Access PDF

Topics & Concepts

AdsorptionArtificial neural networkMetal-organic frameworkComputer scienceLimitingGraphMaterials scienceAlgorithmThermodynamicsArtificial intelligencePhysical chemistryChemistryPhysicsTheoretical computer scienceMechanical engineeringEngineeringMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceCatalysis and Oxidation Reactions
Graph neural network predictions of metal organic framework CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e488" altimg="si38.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> adsorption properties | Litcius