Jinlong Yang
jlyang@ustc.edu.cn
Education
1988-1991 Ph.D. in Theoretical Condensed Matter Physics, Center for Fundamental Physics, University of Science and Technology of China
1985-1988 Master's Degree in Solid State Physics，University of Science and Technology of China
1981-1985 Bachelor's Degree in Physics, Nanjing Normal University
Experience
2018-Present Vice President, University of Science and Technology of China
2009-2019 Executive Dean, School of Chemistry and Materials Science, University of Science and Technology of China
2004-Present Director, Division of Theoretical and Computational Sciences, Hefei National Research Center for Physical Sciences at the Microscale
1997-Present Deputy Director, Professor & Ph.D. Supervisor, Key Laboratory of Selective Bond Chemistry, Chinese Academy of Sciences
1997-Present Professor, Department of Chemical Physics, University of Science and Technology of China
1998-1999 Visiting Scholar, Department of Physics, Hong Kong University of Science and Technology
1991-1997 Lecturer (1991), Associate Professor (1993), Professor (1996), Center for Fundamental Physics, University of Science and Technology of China
1990-1991 Visiting Scholar, Department of Physics, University of Padova & University of Cagliari, Italy
Overview of Academic Research
Prof. Yang’s research area is theoretical and computational chemistry, focusing on the development of electronic structure algorithms and programs, design of spintronic materials, and quantum control of surface single-molecule systems.
His major achievements include:
1. Developed a series of linear-scaling electronic structure methods and developed a general program package for large-scale electronic structure calculation with independent intellectual property rights. In recent years, focusing on self-reliance in core technologies, he has optimized electronic structure algorithms and programs for domestic supercomputing platforms, achieving the first million-core parallel first-principles calculation of 2.5 million atoms on the Sunway TaihuLight supercomputer, which was selected to the 2022 Gordon Bell Prize finalist. This achievement was listed as one of the ten new breakthroughs in strategic high-tech fields in the important speech by General Secretary Xi Jinping at the Academician Conference of the Two Academies in 2021. He has also designed and implemented a quantum-fragmentation-based algorithm to handle the Raman spectra of a biological system containing 100 million atoms, with nearly linear weak and strong scaling on two architecturally distinct supercomputers: the 24,000 GPUs of ORISE (Beijing, China) and the 37,440,000 cores of the new Sunway System (Qingdao, China), which was selected to the 2024 Gordon Bell Prize finalist.
2. Proposed the concept of bipolar magnetic semiconductors (BMS), where the conduction band edge and valence band edge exhibit opposite spin polarization directions, offering a novel approach for electric-field-controlled spintronic devices. BMS are considered the third important type of spintronic material following half-metallic ferromagnetic materials and spin gapless semiconductors. Following this concept, several research groups have designed various bipolar magnetic semiconductor materials.
3. Based on STM-selected chemical single-molecule surgery, successfully realized the Kondo effect and magnetic spin state control of a single cobalt phthalocyanine molecule adsorbed on a surface, providing a novel and important method for the design and fabrication of single-molecule spintronic devices. Using STM single-molecule surgery, achieved the isomerization reaction of a single melamine molecule, demonstrating a dual-functional single-molecule device with both rectifying and switching effects, thereby elevating single-molecule surgery and manipulation techniques to a new level of multifunctional integration within a single molecule.
To date, Prof. Yang has published more than 800 papers, including 5 in Science, 5 in Nature, 22 in Nature sub-journals, 40 in JACS, 17 in Angew and 19 in PRL, with over 57,000 citations in total.
Research Directions/Fields:
1.Rational Design and Functionalization of Low-Dimensional Nanomaterials
2. Structure and Catalytic Mechanisms of Solid Surfaces
3. Transport Properties and Quantum Control of Single-Molecule Devices
4. Novel Electronic Structure Methods and Computational Programs
5. Bonding Theory and Excited-State Spectroscopy of Atomic Clusters
6. Image Simulation and Spectroscopy for Scanning Tunneling Microscopy (STM)
Major Honors and Awards
2025 Fukui Medal, Asia-Pacific Association of Theoretical and Computational Chemists
2023 National Innovation Pioneer Award, China
2019 Academician of Chinese Academy of Sciences
2015 National Advanced Worker, China
2014 Collective Award of Chinese Academy of Sciences for Outstanding Scientific and Technological Achievement
2006 Ninth China Youth Science and Technology Award
2005 Second Prize of National Natural Science Award, China (Second Contributor)
2004 Advanced Individual of National Key Basic Research and Development Program of China (973 Program)
2004 First batch of "New Century Hundred Million Talents Project" by the seven ministries and commissions of China
2003 First Prize of Anhui Science and Technology Award (Second Contributor)
2001 Special Award of China Association for Instrumental Analysis (CAIA)
2000 National Science Fund for Distinguished Young Scholars
Representative Publications
[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).