杨金龙

主要研究方向与成果：

主要从事应用量子化学研究，在新型功能材料的设计与模拟、表面单分子量子行为的表征与调控等方面取得了原创性和系统性成果，已发表SCI收录论文690余篇，其中在Nature，Science，Nature 子刊，PNAS， PRL，JACS和Angew. Chem. Int. Ed.上发表了90余 篇论文。科技部重点研发计划项目首席科学家、国家自然科学基金委员会创新群体学术带头人、教育部“长江学者奖励计划”特聘教授，曾获安徽省自然科学一等奖(2003）、国家自然科学二等奖(2005)、第九届中国青年科技奖(2006)；入选美国物理学会会士(2011)；中国科学院杰出科技成就奖（2014）；“全国先进工作者”荣誉称号（2015）。

代表性论文：

[1] Jielan Li, Wei Hu*, and Jinlong Yang*, High-throughput screening of rattling-induced ultralow lattice thermal conductivity in semiconductors, Journal of the American Chemical Society 2022, 144, 4448.

[2] Jiajia Chen, Kai Wu, Wei Hu*, and Jinlong Yang*, High-throughput inverse design for 2D ferroelectric Rashba semiconductors, Journal of the American Chemical Society 2022, 144, 20035.

[3] 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*, 2.5 million-atom ab initio electronic-structure simulation of complex metallic heterostructures with DGDFT, In the Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC22) ACM Gordon Bell finalist (2022).

[4] Xiangyang Li, Liang Zhu, Bin Li, Jingcheng Li, Pengfei Gao, Longqing Yang, Aidi Zhao, Yi Luo, Jianguo Hou, Xiao Zheng*, Bing Wang*, and Jinlong Yang, Molecular molds for regularizing Kondo states at atom/metal interfaces, Nature Communications 2020, 11, 2566.

[5] Jie Liu, Lingyun Wan, Zhenyu Li*, and Jinlong Yang*, Simulating periodic systems on a quantum computer using Molecular orbitals, Journal of Chemical Theory and Computation 2020, 16, 6904.