| 2024 | PPoPP | Training one DeePMD Model in Minutes: a Step towards Online Learning. | Siyu Hu, Tong Zhao, Qiuchen Sha, Enji Li, Xiangyu Meng, Liping Liu, Lin-Wang Wang, Guangming Tan, Weile Jia |
| 2023 | AAAI | RLEKF: An Optimizer for Deep Potential with Ab Initio Accuracy. | Siyu Hu, Wentao Zhang, Qiuchen Sha, Feng Pan, Lin-Wang Wang, Weile Jia, Guangming Tan, Tong Zhao |
| 2021 | ICS | A systematic approach to improving data locality across Fourier transforms and linear algebra operations. | Doru-Thom Popovici, Andrew Canning, Zhengji Zhao, Lin-Wang Wang, John Shalf |
| 2019 | SC | Parallel transport time-dependent density functional theory calculations with hybrid functional on summit. | Weile Jia, Lin-Wang Wang, Lin Lin |
| 2011 | SC | Large scale plane wave pseudopotential density functional theory calculations on GPU clusters. | Long Wang, Yue Wu, Weile Jia, Weiguo Gao, Xuebin Chi, Lin-Wang Wang |
| 2008 | SC | Linearly scaling 3D fragment method for large-scale electronic structure calculations. | Lin-Wang Wang, Byounghak Lee, Hongzhang Shan, Zhengji Zhao, Juan C. Meza, Erich Strohmaier, David H. Bailey |
| 2005 | ICCS | Comparison of Nonlinear Conjugate-Gradient Methods for Computing the Electronic Properties of Nanostructure Architectures. | Stanimire Tomov, Julien Langou, Andrew Canning, Lin-Wang Wang, Jack J. Dongarra |