| A novel composite perovskite-based material for chemical-looping steam methane reforming to hydrogen and syngas H Ding, Y Xu, C Luo, Q Wang, C Shen, J Xu, L Zhang Energy conversion and management 171, 12-19, 2018 | 94 | 2018 |
| Graph rationalization with environment-based augmentations G Liu, T Zhao, J Xu, T Luo, M Jiang Proceedings of the 28th ACM SIGKDD Conference on Knowledge Discovery and …, 2022 | 93 | 2022 |
| Machine learning-assisted exploration of thermally conductive polymers based on high-throughput molecular dynamics simulations R Ma, H Zhang, J Xu, L Sun, Y Hayashi, R Yoshida, J Shiomi, J Wang, ... Materials Today Physics 28, 100850, 2022 | 40 | 2022 |
| Data-centric learning from unlabeled graphs with diffusion model G Liu, E Inae, T Zhao, J Xu, T Luo, M Jiang Advances in neural information processing systems 36, 21039-21057, 2023 | 25 | 2023 |
| Extremely high thermal conductivity of aligned polyacetylene predicted using first-principles-informed united-atom force field T Zhang, J Xu, T Luo arXiv preprint arXiv:2009.13708, 2020 | 19 | 2020 |
| Effect of Sodium Bromide on CaO-Based Sorbents Derived from Three Kinds of Sources for CO2 Capture C Shen, C Luo, T Luo, J Xu, B Lu, S Liu, L Zhang ACS omega 5 (29), 17908-17917, 2020 | 16 | 2020 |
| Inverse molecular design with multi-conditional diffusion guidance G Liu, J Xu, T Luo, M Jiang arXiv e-prints, arXiv: 2401.13858, 2024 | 9* | 2024 |
| Unlocking enhanced thermal conductivity in polymer blends through active learning J Xu, T Luo npj Computational Materials 10 (1), 74, 2024 | 5 | 2024 |
| A review on machine learning-guided design of energy materials S Kim, J Xu, W Shang, Z Xu, E Lee, T Luo Progress in Energy, 2024 | 4 | 2024 |
| Superior Polymeric Gas Separation Membrane Designed by Explainable Graph Machine Learning J Xu, A Suleiman, G Liu, M Perez, R Zhang, M Jiang, R Guo, T Luo arXiv preprint arXiv:2404.10903, 2024 | 3 | 2024 |
| Transcend the boundaries: Machine learning for designing polymeric membrane materials for gas separation J Xu, A Suleiman, G Liu, R Zhang, M Jiang, R Guo, T Luo Chemical Physics Reviews 5 (4), 2024 | | 2024 |
| Machine Learning Inspired Polyimide Gas Separation Membranes: A Leap Beyond Conventional Aromatic Counterpart A Suleiman, J Xu, G Liu, M Jiang, T Luo, R Guo 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Methods and apparatus for gas separation membrane XU Jiaxin, R Guo, M Jiang, T Luo, A Suleiman, G Liu US Patent App. 18/611,015, 2024 | | 2024 |
| Machine learning-assisted discovery of high-performance polymer membranes for gas separation J Xu, A Suleiman, G Liu, M Jiang, R Guo, T Luo APS March Meeting Abstracts 2023, S03. 011, 2023 | | 2023 |
Tengfei LuoDorini Family Professor, MÖNSTER (MOlecular/Nano-Sacle Transport & Energy Research) LabVerified email at nd.edu