Browsing by Subject Density Functional Theory
Showing results 1 to 2 of 2
| Issue Date | Title | Author(s) |
| 2022 | Accurate Prediction of Voltage of Battery Electrode Materials Using Attention-Based Graph Neural Networks | Louis, Steph-Yves; Siriwardane, Edirisuriya M. Dilanga; Joshi, Rajendra P.; Omee, Sadman Sadeed; Kumar, Neeraj; Hu, Jianjun |
| 2022 | Generative design of stable semiconductor materials using deep learning and density functional theory | Siriwardane, Edirisuriya M. Dilanga; Zhao, Young; Perera, Indika; Hu, Jianhu |
