Professor Li was born in July 1969, Hunan Province. He received B.S and M.S. in chemistry from Central South University of Technology in 1990 and 1993, respectively, and PhD in physical chemistry from Nanjing University in 1996. His research experience includes two-year postdoctoral research in Department of Physics, Nanjing University, and two-year postdoctoral work in Department of Chemistry, Texas A&M University. In 2000, he became an associate professor in school of Chemistry and Chemical Engineering, Nanjing University. In 2002, he was promoted to be a full professor. Now he is the dean of School of Chemistry and Chemical Engineering, Nanjing University.

 In 2002, he received Outstanding Young Chemist Award of Chinese Chemical Society. In 2006, he was awarded the National Science Fund for Distinguished Young Scholars. In 2008, he won the Pople Medal of Asian Pacific Association of Theoretical & Computational Chemists. In 2009, he was appointed as Changjiang Scholar Chair Professor by Chinese Ministry of Education. He received Science & Technology Award for Chinese Youth and Outstanding Young Chemist Award of Chinese Chemical Society and Royal Society of Chemistry in 2009, and QSCP Promising Scientist Prize of CMOA (Centre de Mécanique Ondulatoire Appliquée) in 2011. In 2019, he won the First Prize of Natural Science Award by the Chinese Ministry of Education.

    He was elected as the board member of Chinese Chemical Society (2011),board of directors of International Society for Theoretical Chemical Physics (2013), the board member of the World Association of Theoretical and Computational Chemists (2014), and the board member of Asia-Pacific Association of Theoretical & Computational Chemists (2016), vice director of the Theoretical Chemistry Committee of Chinese Chemical Society (2018). In 2017, he was elected as a member of the International Academy of Quantum Molecular Science. In 2020, he was elected as fellow of Chinese Chemical Society. He is currently an Editorial Board Member of: Molecular Physics (Taylor & Francis), Progress in Chemistry (CAS), and Electronic Structure.

Research Field
Honors&Awards
Projects
Editor Position
  • Linear scaling algorithms for electronic structure calculations;
  • Multi-reference electron correlation methods;
  • Theoretical studies on reaction mechanisms of inorganic and metallo-organic compounds.

 

 

          

  • Outstanding Young Chemist Award of Chinese Chemical Society (2002)
  • The Project for Young Teachers in Universities by Fok Ying Tong Education Foundation (2004)
  • New-Century Talented Scientist Fund by Ministry of Education (2004)
  • The National Science Fund for Distinguished Young Scholars (2006)
  • The Pople Medal of Asian Pacific Association of Theoretical & Computational Chemists (2008)
  • Science & Technology Award for Chinese Youth (2009)
  • Outstanding Young Chemist Award of Chinese Chemical Society and Royal Society of Chemistry (2009)
  • General project of national natural science funds:Development and Application of the Method for Automatic Chemical Reaction Pathways Searching .22073043(2021-2024)
  • Key project of national natural science funds:New Multireference Electronic Correlation Methods and the Development and Application of Linear Scaling Quantum Chemistry Methods. 21833002 (2019-2023)
  •  International Society for Theoretical Chemical Physics    Member of Board of Directors  
  •  The World Association of Theoretical and Computational Chemists    Board Member
  • 《Acta Physico-Chimica Sinica》《Molecular Physics》and《Progress in Chemistry》    Editorial Board Member
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Contact us

 

Institute of Theoretical and Computational Chemistry
School of Chemistry and Chemical Engineering
Nanjing University

 

Add : No.163 Xianlin Rd., Nanjing       Map
P.C : 210023
Tel : 025-89686465
Fax : 025-89686466
Email : shuhua@nju.edu.cn
Office : Xianlin Chemistry Building G507

 

Recruitment

News
  Links

Excellent undergraduate and graduated students majored in chemistry and physics are welcome to study in Prof. Li’s group. Scholars with Ph. D degrees in any areas of theoretical &computational chemistry, theoretical physics and theoretical biology are welcome to apply for postdoctoral positions.

【2023/01】Congratulations!   Prof. Shuhua Li with the finding of "New Cornerstone Investigator Program"

【2023/11】RSCChina(Wechat)  reported our work: "Base-Mediated C-B Bond Activation of Benzylic Boronate for theRapid Construction of -Silyl/Boryl Functionalized 11-Diarylalkanes from Aromatic Alkenes?"

【2023/02】Polymer-science(Wechat)  reported our work: "Direct synthesis of sila-benzoazoles through hydrosilylation and rearrangement cascade reaction of benzoazoles and silanes"

【2021/06】Welcome to the "2021 Nanjing University Summer School of Theory and Computational Chemistry"

【2021/03/12】Chemical Newsletter(Wechat)  reported our work: " "Molecule'Puzzle': Fast Calculation of Structures and Spectroscopic Properties of Large Molecules and Condensed-Phase Systems"

【2020/12/28】The online course "Quantum Chemistry" (Shuhua Li, Wei Li,Jing Ma) was launched on the MOOC platform of China University

【2020/12/22】 Professor Shuhua Li, Wei Li, Hao Dong, and Jing Ma jointly published the latest review about Generalized Energy-Based Fragmentation Approach at Acc. Chem. Res.

【2019/12/10】Prof. Shuhua Li, Wei Li, Jing Ma and Haibo Ma won the first prize in Natural Science of the Ministry of Education in 2019 for their work "Quantum chemistry methods and applications for complex systems".

 

New Cornerstone Investigator Program


X MOL


Nanjing University


School of Chemistry and Chemical Engineering of NJU

 

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