Gas permeability, diffusivity, and solubility in polymers: Simulation-experiment data fusion and multi-task machine learning
Abstract Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new spaces. To address this challenge, we present a multi-t...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-08-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-024-01373-9 |
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