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Jan G. Rittig

Predicting the Temperature-Dependent CMC of Surfactant Mixtures with Graph Neural Networks

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Nov 05, 2024
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GraphXForm: Graph transformer for computer-aided molecular design with application to extraction

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Nov 03, 2024
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Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks

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Mar 06, 2024
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Graph Neural Networks for Surfactant Multi-Property Prediction

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Jan 03, 2024
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Gibbs-Duhem-Informed Neural Networks for Binary Activity Coefficient Prediction

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May 31, 2023
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Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction

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Jul 27, 2022
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Graph neural networks for the prediction of molecular structure-property relationships

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Jul 25, 2022
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Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids

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Jun 23, 2022
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Graph Machine Learning for Design of High-Octane Fuels

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Jun 01, 2022
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