Lab of Computational Chemistry and Drug Design
Wu Group




Ph.D., Theoretical Organic Chemistry, 1986, University of Pittsburgh;

B.S., Physical Chemistry, 1981, Lanzhou University, P.R.C.


Working Experience:

2019.03- Present          Executive Vice Director, Shenzhen Bay Laboratory

2016.03 - 2019.03        Chancellor, Peking University Shenzhen Graduate School

2010.09 - Present        Chair Professor, College of Chemistry, Peking University

                                     Chair Professor, School of Chemical Biology & Biotechnology, PKUSZ

2007.07 - 2010.09        Chair Professor, Department of Chemistry, HKUST

2001.07 - 2010.09        Professor, Department of Chemistry, HKUST

1995.07 - 2001             Associate Professor, Department of Chemistry, HKUST

                                     (A-scale since 1998).

1992.06 - 1995.06        Lecturer/Assistant Professor, Department of Chemistry, HKUST

1988.06 - 1992.06        Research Associate of Prof. K. N. Houk at UCLA.

                                     Division at the National Science Foundation from June 1988 to May 1990.

1988.01 - 1988.05        Visiting scholar with Prof. P. v. R. Schleyer,

                                     University of Erlangen-Nürnberg, Erlangen, Germany

1986 - 1987                  Postdoctoral with Prof. K. N. Houk at UCLA

1982 - 1986                  Teaching Assistant and Research Assistant, University of Pittsburgh


Honors and Awards:

1.Distinguished Student Award, 1979, Lanzhou University.

2.Chemistry Graduate Program Fellowship (Ministry of Education, China), 1982.

3.Wong Kuen Shing Education Foundation Exchange Scholar Award, 1998.

4.National Natural Science Award of China, 1999.

5.Croucher Senior Research Fellowship Award (Croucher Award), 2000

6.Outstanding Young Investigator Award, National Natural Science Foundation of China, 2002-2006.

7.Member, the Chinese Academy of Science, 2005

8.Thomson-Reuters Research Fronts Award, 2008.

9.2009 School of Science Teaching Award, HKUST.

10.<<有机化学>> 课本被评为教育部2009年度普通高等教育精品教材

11.Fellow, Hong Kong Institute of Science, 2011


13.National Natural Science Award of China, 2013.

14.Invited to Give Robert S. Mulliken Lecture, 2013.

15.Fukui Medal, The Asia-Pacific Association of Theoretical & Computational Chemists (APATCC) 2014.


Editorial and Professional Service:

1.Scientific Board, World Association of Theoretical and Computational Chemists (WATOC), 1999-.

2.Vice-President, Asian Pacific Association of Theoretical and Computational Chemistry (APATCC), 2012- .

3.Guest Senior Scientist, University of Science and Technology of China, April 1995 – March 1998.

4.Guest Professor, Cheng-Du Institute of Organic Chemistry, 1998-.

5.Guest Professor,  Lanzhou University, 1999-.

6.Guest Professor, Guizhou University, 2000-.

7.Guest Professor, Nanjing University, 2001-2004.

8.Guest Professor, Shanghai Institute of Organic Chemistry, 2002-2008.

9.Guest Professor, Peking University, 2002-.

10.Executive Committee, Chinese Journal of Chemistry, 1999-2005.

11.Associate Editor-in-Chief, Chinese Journal of Chemistry, 2006-.

12.Advisory Editor, Journal of Theoretical and Computational Chemistry, 2002-.

13.Editorial Board, Molecular Physics, 2004-.

14.Editorial Advisory Board, Journal of Computational Chemistry, 2005-.

15.Editorial Advisory Board, Accounts of Chemical Research, 2006-.

16.Editorial Board, Chemical Research in Chinese Universities, 2007-.

17.Editorial Board, Science in China-Chemistry, 2008-.

18.Associate Editor, Acta Physico-Chimica Sinica, 2009-.

19.Associate Editor, Theoretical Chemistry Accounts, 2010-March 2011.

20.Editorial Advisory Board, Journal of Physical Chemistry, 2012-.


Reviewer for the following scientific journals:

1.Journal of the American Chemical Society

2.Proceeding of National Academy of Sciences, USA

3.Journal of Organic Chemistry

4.Organic Letters

5.Journal of Physical Chemistry

6.Journal of Molecular Structure (Theochem)

7.Tetrahedron Letters


9.Journal of Molecular Modeling

10.Journal of Theoretical and Computational Chemistry

11.Computing in Science & Engineering


13.Science in China.

14.Journal of Computational Chemistry

15.Journal of Chemical Theory and Computation


According to the Science Citation Index, the total citation of my publications is over 8000 times, of which over 6000 were by other people. H-index = 52.