Engineering and Technologynpj Computational Materials
Gas permeability, diffusivity, and solubility in polymers: Simulation-experiment data fusion and multi-task machine learning
B. K. Phan, K. Shen, et al.
This research by Brandon K. Phan and colleagues introduces a groundbreaking multi-tiered multi-task learning framework that predicts gas permeability in polymers. By merging experimental and simulation data through advanced techniques, the study enhances model generalizability and predictive accuracy, especially in underexplored chemical spaces.
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