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Xin Xu
Xin Xu
Name:   Xin Xu
Address: Department of Chemistry, Fudan University,
220 Handan Rd., Yangpu,Shanghai, 200433,
Tel: +86-21-65642032
Fax: +86-21-65643529
E-mail: xxchem@fudan.edu.cn
Research group: www.xdft.org


EDUCATION AND RESEARCH EXPERIENCE
2010.6-now, Professor of Fudan Univ.
2006-2010, Lu-Jia-Xi professor of Xiamen Univ.
2004.8-2008.8, Guest Professor, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, China.
2003.11-2015.11, Professor, Member of Academic Committee, State Key Lab of Physical Chemistry on Solid Surfaces, China.
2003.12-12; Visiting Professor of Kyoto University, Japan.
2000.3-2003.2, Visiting Associate at California Institute of Technology, USA.
1996.11-2003.11, Professor, Deputy director, State Key Lab of Physical Chemistry on Solid Surfaces, China.
1996.7-present, Guest Professor, Department of Chemistry, Hebei University, China.
1995.12-2010.6, Professor, Department of Chemistry, Xiamen University, China.
1995.7-8; 1995.11-1996.3; 1996.9-9; 1999.2-4; 1999.10-12 Visiting Professor of Kyoto University, Japan.
1993.6-1995.11, Associated professor, Department of Chemistry, Xiamen University, China
1991.6-1993.6, Post-doctoral fellowship, Fujian Institute of Research on the Structure of Matter, Academia Sinica
Dr.Sc. degree in Chemistry in 1991, Xiamen University
B.Sc. degree in Chemistry in 1985, Xiamen University

RESEARCH INTERESTS
Density functional theory and its applications

HONORS AND AWARDS
2011-2015, Xiang-Jiang Scholar of Hunan University of Science and Technology
2006-2009, Reward Fund from National Natural Science Foundation for Outstanding Young Scientists
2006-2010, Ming-Jiang Scholar of Fujian province.
2000-2005, Reward Fund from State Education Commission of China for Outstanding Young Professors in Chinese Universities
1998-2000, Reward Fund from Fok Ying Tung Foundation
1995-1998, Special Research Foundation from State Education Commission of China
1995, Qinyuan Prize for Achievements in Science, Issued by Xiamen University
1995, 10 Outstanding Young Chemists of 1995, Issued by Chemical Society of China
1994-1997, National Natural Science Foundation for Young Scientists
1994, Key Young Professor of Xiamen University, Issued by Xiamen University
1993, Prize for Outstanding Paper of Post-doctors, Issued by the Academic Committee of post-doctoral fellowship in China.

ACADEMIC SERVICES
2016.1-, Member of Academic Committee, State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Physical Chemistry.
2015.5-, Editorial Committee Member of Theoretical Chemistry Accounts
2012-, Changjiang professor of chemistry, Fudan Univ 2010-, Distinguished professor of Fudan Univ
2012.1-, Editorial Committee Member of Chinese Journal of Chemistry (Huaxue Xuebao)
2011-, Member of Academic Committee, Synfuels China 2010.1-, Editorial Committee Member of Chinese Journal of Chemical Physics (CJCP)
2010-, Member of Academic Committee, MOE Laboratory for Computational Physical Science
2009.10-2015.8, Editorial Committee Member of Acta Physico- Chimica Sinica
2007.3-2015.12, Editorial Committee Member of Journal of Theoretical and Computational Chemistry (JTCC)
1999.1-2003.1, Editorial Committee Member of Chemical Research and Application
1998.10-2002.10, Committee Member of the Chinese Chemical Society.

REPRESENTATIVE PUBLICATIONS
1. N. Q. Su, Xin Xu,* “The XYG3 type of doubly hybrid functionals”, WIREs Computational Molecular Science, (invited contribution), 2016, doi: 10.1002/wcms.1274
2. Neil Qiang Su, and Xin Xu*, The integration approach at the second-order perturbation theory: Applications to ionization potential and electron affinity calculations, J. Chem. Theory Comput., 11 (2015) 4677-4688
3. Neil Qiang Su, Xin Xu,* Construction of a parameter-free doubly hybrid density functional from adiabatic connection, J. Chem. Phys., 140 (2014) 18A512/1-15. (Invited contribution for DFT50)
4. Igor Y. Zhang and Xin Xu*, A New-Generation Density Functional Towards Chemical Accuracy for Chemistry of Main Group Elements, SpringerBriefs in Molecular Science, Springer Heidelberg, 2014, ISBN 978-3-642-40420-7, DOI 10.1007/978-3-642-40421-4
5. Wenping Guo, Anan Wu, Igor Ying Zhang, and Xin Xu*, XO: An Extended ONIOM Method for Accurate and Efficient Modeling of Large Systems, J. Comput. Chem.,33(2012), 2142(Cover Paper)
6. Igor Y. Zhang, Xin Xu*, Yousung Jung*, and William A. Goddard III*, ‘A fast doubly hybrid density functional method close to chemical accuracy: XYGJ-OS’, Proc. Natl. Acad. Sci. USA, 108(2011), 19896–19900
7. Igor Y. Zhang, Xin Xu*, Doubly hybrid density functional for accurate description of thermochemistry, thermochemical kinetics and nonbonded interactions, Int. Rev. Phys. Chem., 30(2011), 115-160 (Invited Review)
8. L. Rao, Q Cui*, Xin Xu*, Electronic properties and desolvation penalties of metal ions plus protein electrostatics dictate the metal binding affinity and selectivity in the Copper efflux Regulator (CueR), J. Am. Chem. Soc. 132(2010), 18092-18102
9. Igor Ying Zhang, Jianming Wu, Xin Xu*, Extending the reliability and applicability of B3LYP, Chem. Comm. 46(2010) 3057 (Feature Article)
10. Ying Zhang, Xin Xu*, and William A. Goddard III* ‘Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics’, Proc. Natl. Acad. Sci. USA, 106(2009) 4963-4968.
11. Gang Fu, Xin Xu*, Xin Lu, Huilin Wan*, Mechanisms of methane activation and transformation on molybdenum oxide based catalysts, J. Am. Chem. Soc., 127 (2005) 3989
12. Xin Xu, and William A. Goddard III*, The X3LYP Extended density functional for accurate descriptions of nonbond interactions (London forces, electrostatics, and hydrogen bonding), spin states, and thermochemical properties, Proc. Natl. Acad. Sci. USA, 101 (2004) 2673

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