代表性论文
1.Linear-scaling density matrix perturbation treatment of electric fields in solids. Hongjun Xiang, Jinlong Yang*, Jianguo Hou, and Qingshi Zhu. Physical Review Letters, 97, 266402 (2006).
2. 2.5 million-atom ab initio electronic-structure simulation of complex metallic heterostructures with DGDFT, Wei Hu, Hong An*, Zhuoqiang Guo, Qingcai Jiang, Xinming Qin, Junshi Chen, Weile Jia*, Chao Yang, Zhaolong Luo, Jielan Li, Wentiao Wu, Guangming Tan, Dongning Jia, Qinglin Lu, Fangfang Liu, Min Tian, Fang Li, Yeqi Huang, Liyi Wang, Sha Liu and Jinlong Yang.* International Conference for High Performance Computing, Networking, Storage and Analysis (SC22), ACM Gordon Bell finalist (2022).
3.Pushing the limit of quantum mechanical simulation to the Raman spectra of a biological system with 100 million atoms, Honghui Shang*, Ying Liu*, Zhikun Wu, Zhenchuan Chen, Jinfeng Liu, Meiyue Shao, Yingzhou Li, Bowen Kan, Huimin Cui, Xiaobing Feng, Yunquan Zhang, Donald G. Truhlar, Hong An, Xiao He*, and Jinlong Yang.* International Conference for High Performance Computing, Networking, Storage and Analysis (SC24), ACM Gordon Bell finalist (2024).
4.First-principles design of spintronics materials. Xingxing Li, and Jinlong Yang.* National Science Review, 3, 365 (2016).
5.Bipolar magnetic semiconductors: a new class of spintronics materials, Xingxing Li, Xiaojun Wu, Zhenyu Li, Jinlong Yang,* and J. G. Hou. Nanoscale, 4, 5680 (2012).
6.A review of bipolar magnetic semiconductors from theoretical aspects, Junyao Li, Xingxing Li, * and Jinlong Yang.* Fundamental Research, 2, 511 (2022).
7.Controlling the Kondo effect of an adsorbed magnetic ion through its chemical bonding. Aidi Zhao, Qunxiang Li, Lan Chen, Hongjun Xiang, Weihua Wang, Shuan Pan, Bing Wang, Xudong Xiao, Jinlong Yang*, Jianguo Hou*, and Qingshi Zhu. Science, 309, 1542 (2005).
8.Design and control of electron transport properties of single molecules. Shuan Pan, Qiang Fu, Tian Huang, Aidi Zhao, Bing Wang, Yi Luo, Jinlong Yang*, and Jianguo Hou*. Proceedings of the National Academy of Sciences, 106, 15259 (2009).
9.Proposed photosynthesis method for producing hydrogen from dissociated water molecules using incident near-infrared light. Xingxing Li, Zhenyu Li, and Jinlong Yang*. Physical Review Letters, 112, 018301 (2014)
10.Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H2. Lina Cao, Wei Liu, Qiquan Luo, Ruoting Yin, Bing Wang, Jonas Weissenrieder, Markus Soldemo, Huan Yan, Yue Lin, Zhihu Sun, Chao Ma, Wenhua Zhang, Si Chen, Hengwei Wang, Qiaoqiao Guan, Tao Yao, Shiqiang Wei*, Jinlong Yang*, and Junling Lu*. Nature, 565, 631 (2019).
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