Virtual screening of nanoporous materials for noble gas separation J Wang, M Zhou, D Lu, W Fei, J Wu ACS Applied Nano Materials 5 (3), 3701-3711, 2022 | 16 | 2022 |
Computational screening and design of nanoporous membranes for efficient carbon isotope separation J Wang, M Zhou, D Lu, W Fei, J Wu Green Energy & Environment 5 (3), 364-373, 2020 | 13 | 2020 |
Theoretical insights on the hydration of quinones as catholytes in aqueous redox flow batteries J Li, H Xu, J Wang, Y Wang, D Lu, J Liu, J Wu Chinese Journal of Chemical Engineering 37, 72-78, 2021 | 7 | 2021 |
A Multiscale procedure for predicting the hydration free energies of polycyclic aromatic hydrocarbons J Li, J Wang, Y Wang, D Lu, J Wu Journal of Chemical & Engineering Data 65 (4), 2206-2211, 2020 | 4 | 2020 |
Modeling multicomponent gas adsorption in nanoporous materials with two versions of nonlocal classical density functional theory M Zhou, J Wang, J Garcia, Y Liu, J Wu Industrial & Engineering Chemistry Research 60 (47), 17016-17025, 2021 | 3 | 2021 |
A comprehensive transformer-based approach for high-accuracy gas adsorption predictions in metal-organic frameworks J Wang, J Liu, H Wang, M Zhou, G Ke, L Zhang, J Wu, Z Gao, D Lu Nature Communications 15 (1), 1904, 2024 | 1 | 2024 |