| Issue Date | Title | Author(s) |
| 2024 | A 3D metallic porous sulfurized carbon anode identified by global structure search for Na-ion batteries with fast diffusion kinetics | Obeid, Mohammed M.; Liu, Jiahui; Du, Penghu; Liu, Tongyu; Sun, Qiang |
| 25-Apr-2023 | Computational Design of Cation-Disordered Li3Ta2O5 with Fast Ion Diffusion Dynamics and Rich Redox Chemistry for a High-Rate Li-Ion Battery Anode Material | Obeid, Mohammed M.; Liu, Jiahui; Shen, Yiheng; Sun, Qiang |
| Jul-2022 | CavitySpace: A Database of Potential Ligand Binding Sites in the Human Proteome | Wang, Shiwei; Lin, Haoyu; Huang, Zhixian; He, Yufeng; Deng, Xiaobing; Xu, Youjun; Pei, Jianfeng; Lai, Luhua |
| Aug-2020 | A survey of competitive sports data visualization and visual analysis | Du, Meng; Yuan, Xiaoru |
| Oct-2020 | Electronic band structure phase diagram of 3D carbon allotropes from machine learning | Wu, Wei; Gong, Sheng; Sun, Qiang |
| 6-Feb-2020 | 研发新冠病毒疫苗 高性能计算“显身手” | 樊春; 赵广立 |
| 10-Jun-2020 | 人工智能算子接口标准化研究 | 黎子毅; 李克森; 李雨芮; 范睿博; 敖玉龙; 杨超 |
| 2019 | Parallel energy-stable phase field crystal simulations based on domain decomposition methods | Wei, Ying; Yang, Chao; Huang, Jizu |
| 2019 | Carbon Permeation: The Prerequisite Elementary Step in Iron-Catalyzed Fischer-Tropsch Synthesis | Gao, Rui; Liu, Xingchen; Cao, Zhi; Liu, Xing-Wu; Lu, Kuan; Ma, Ding; Yang, Yong; Li, Yong-Wang; Hoffmann, Roald; Wen, Xiao-Dong |
| 2017 | EFFICIENT RATE-ADAPTIVE RECONCILIATION FOR CONTINUOUS-VARIABLE QUANTUM KEY DISTRIBUTION | Wang, Xiangyu; Zhang, Yichen; Yu, Song; Xu, Bingjie; Li, Zhengyu; Guo, Hong |
| 2018 | iVI: an Iterative Vector Interaction Method for Large Eigenvalue Problems (vol 38, pg 2481, 2017) | Huang, Chao; Liu, Wenjian; Xiao, Yunlong; Hoffmann, Mark R. |
| 2017 | Further development of SDSPT2 for strongly correlated electrons | Lei, Yibo; Liu, Wenjian; Hoffmann, Mark R. |
| 2016 | Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions | Li, Zhendong; Liu, Wenjian |
| 2016 | Big picture of relativistic molecular quantum mechanics | Liu, Wenjian |
| 2017 | Finite-size analysis of continuous-variable measurement-device-independent quantum key distribution | Zhang, Xueying; Zhang, Yichen; Zhao, Yijia; Wang, Xiangyu; Yu, Song; Guo, Hong |
| 2017 | Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin-orbit splittings of light and heavy elements | Cao, Zhanli; Li, Zhendong; Wang, Fan; Liu, Wenjian |
| 2017 | Localization of open-shell molecular orbitals via least change from fragments to molecule | Li, Hongyang; Liu, Wenjian; Suo, Bingbing |
| 2017 | A quantum chemical definition of electron-nucleus correlation | Cassam-Chenai, Patrick; Suo, Bingbing; Liu, Wenjian |
| 2017 | Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds | Suo, Bingbing; Shen, Kaiyuan; Li, Zhendong; Liu, Wenjian |
| 2017 | iVI: An Iterative Vector Interaction Method for Large Eigenvalue Problems | Huang, Chao; Liu, Wenjian; Xiao, Yunlong; Hoffmann, Mark R. |
