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UC.PT

Theoretical & Computational Chemistry

Yu Zhi Song

Yuzhi Song



Personal:

Date of Birth: October 6th,1980

Place of birth: Linyi city, Shandong province, China

Address: Departamento de Química, FCT,

               Universidade de Coimbra,

               Rua Larga, 3004-535 Coimbra

E-mail: ysong@qui.uc.pt

url: http://www.researcherid.com/rid/F-6119-2011


Academic background

I have an undergraduate and a master degree in physics through Shandong Normal University, China. My PhD degree in Theoretical Chemistry has been obtained in September 2011 in the Theoretical & Computational Chemistry (T&CC) group, hosted at Universidade de Coimbra (UC), Portugal, working under the supervision of Professor António Varandas. At the present I have a PosDoc position in the T&CC group.


Areas of interest

Potential energy surface (PES), Ab initio calculations, Reaction dynamics, Nonlinear optical materials, Two-photon absorption (TPA), Second-order polarizability, Charge transfer, Density functional theory (DFT).

Academic degrees

  • 2000-2004: BSc in Physics, Shandong Normal University, China 

Thesis: Theoretical research on the nonlinear optical properties of metallic organic  complexex

  • 2004-2006: MSc in Atomic and Molecular Physics, Shandong Normal University, Under the  supervision of Prof. Wang Chuan-Kui                   

Thesis: Theoretical study of nonlinear optical properties of organic molecular materials

  • 2006-2011: PhD in Theoretical and Computational Chemistry, University of Coimbra, Portugal. Under  the supervision of Prof. A.J.C. Varandas. 

Thesis: Accurate ab initio-based double many-body expansion potential  energy  surfaces and   dynamics for sulfur-hydrogen molecules.


Academic fellowships

2000-2001: The first prize scholarship of Shandong Normal University (SDNU)
                   Excellent Student of SDNU

2001-2002: The first prize scholarship of SDNU
                   Excellent Student Cadre of SDNU

2002-2003: The first prize scholarship of SDNU
                   Excellent Student Cadre of SDNU

2004-2005: The first prize scholarship of SDNU
                   Excellent Student of SDNU

2005-2006: The first prize scholarship of SDNU
                   Excellent Student of SDNU

2007-2011: Fundação para a Ciência e a Tecnologia, Portugal

2010: Chinese Government Award for Outstanding Self-financed Students Abroad

Link:  http://www.chisa.edu.cn/szxrzz/qikan/2011no11/201111/t20111117_345570.html


Publications

[1] Yuzhi Song, Xunwang Yan, Ruijin Liu, Xiaoming Huang, Chuankui Wang, “The firstorder hyper polarizability frequency dispersion of a ferrocenyl derivative”, Journal of Shandong Normal University, 2005, 20(4): 30.

[2] Yuzhi Song, Dongmei Li, Xiuneng Song, Xiaoming Huang, Chuankui Wang, “Solvent effects on two-photon absorption cross sections of a newly synthesized polymerization initiator”, Journal of Molecular Structure: THEOCHEM, 2006, 772: 75.

[3] Jicai Liu, Ke Zhao, Yuzhi Song and Chuankui Wang, “Dynamical behavior of ultrashort laser pulse in a cascade three-level molecular system”, Acta. Phys. Sin., 2006, 55(4): 1803.

[4] Y. Z. Song, A. Kinal, P. J. S. B. Caridade, P. Piecuch and A. J. C. Varandas, “A comparison of single-reference coupled-cluster and multi-reference configuration interaction methods for  representative cuts of the H2S(1A′) potential energy surface”, Journal of Molecular Structure: THEOCHEM, 2008, 859: 22.

[5] Y. Z. Song and A. J. C. Varandas, “Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit”, Journal of Chemical Physics, 2009, 130: 134317.

[6] Y. Z. Song, P. J. S. B. Caridade, and A. J. C. Varandas, “Potential energy surface for ground-state H2S via scaling of the external correlation, comparison with extrapolation to complete basis set limit, and use in reaction dynamics”, Journal of Physical Chemistry A, 2009, 113: 9213.

[7] Y. Z. Song and A. J. C. Varandas, “Accurate DMBE potential energy surface for ground-state HS2 based on ab initio data extrapolated to complete basis set limit”, Journal of Physical Chemistry A,  2011, 115: 5274.


Poster presentation in scientific conferences

[1] Y. Z. Song and A. J. C. Varandas, “Accurate DMBE potential energy surface for ground state HS2 extrapolated to the complete basis set limit”. XVIII European Conference on Dynamics of Molecular Systems, Curia, Portugal, September 5-10, 2010

[2] Y. Z. Song and A. J. C. Varandas, “Ab initio study of potential energy surfaces for H2S and HS2”. Week of Science and Technology 2010, Coimbra, Portugal, Novermber 23, 2010 

[3] Y. Z. Song and A. J. C. Varandas, "ACCURATE DMBE POTENTIAL ENERGY SURFACES AND DYNAMICS CALCULATIONS FOR SULFUR-HYDROGEN TRIATOMIC SPECIES",Ninth Triennial Congress of the WORLD ASSOCIATION OF THEORETICAL AND COMPUTATIONAL CHEMISTS (WATOC) 2011, Santiago, Spain, July 17-22, 2011.

Curriculum Viate