| Spherical message passing for 3d molecular graphs Y Liu, L Wang, M Liu, Y Lin, X Zhang, B Oztekin, S Ji International Conference on Learning Representations (ICLR), 2022 | 243* | 2022 |
| Periodic graph transformers for crystal material property prediction K Yan, Y Liu, Y Lin, S Ji Advances in Neural Information Processing Systems 35, 15066-15080, 2022 | 60 | 2022 |
| ComENet: Towards complete and efficient message passing for 3D molecular graphs L Wang, Y Liu, Y Lin, H Liu, S Ji Advances in Neural Information Processing Systems 35, 650-664, 2022 | 60 | 2022 |
| Artificial intelligence for science in quantum, atomistic, and continuum systems X Zhang, L Wang, J Helwig, Y Luo, C Fu, Y Xie, M Liu, Y Lin, Z Xu, K Yan, ... arXiv preprint arXiv:2307.08423, 2023 | 51 | 2023 |
| Efficient approximations of complete interatomic potentials for crystal property prediction Y Lin, K Yan, Y Luo, Y Liu, X Qian, S Ji International Conference on Machine Learning, 21260-21287, 2023 | 16 | 2023 |
| Large scale benchmark of materials design methods K Choudhary, D Wines, K Li, KF Garrity, V Gupta, AH Romero, JT Krogel, ... arXiv preprint arXiv:2306.11688, 2023 | 11 | 2023 |
| SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations X Zhang, J Helwig, Y Lin, Y Xie, C Fu, S Wojtowytsch, S Ji arXiv preprint arXiv:2403.19507, 2024 | 1 | 2024 |
| JARVIS-Leaderboard: a large scale benchmark of materials design methods K Choudhary, D Wines, K Li, KF Garrity, V Gupta, AH Romero, JT Krogel, ... npj Computational Materials 10 (1), 93, 2024 | | 2024 |
