Materials Discovery
Related Publications:
48. “Representation learning for long-chain hydrocarbon adsorption in zeolites,” J. Mater. Chem. A 13, 39229-39242 (2025).
47. “Machine learning-based predictions of henry coefficients for long-chain alkanes in one-dimensional zeolites: application to hydroisomerization,” J. Phys. Chem. C 129, 18234-18249 (2025).
38. “ZeoNet: 3D convolutional neural networks for predicting adsorption in nanoporous zeolites,” J. Mater. Chem. A 11, 17570-17580 (2023).
11. “Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling,” Nature Commun. 6, 5912 (2015).
21. “Computational screening of nanoporous materials for hexane and heptane isomer separation,” Chem. Mater. 29, 6315-6328 (2017).
