学院简介

    深圳大学高等研究院是深圳大学新成立的一个包含本科与研究生培养、侧重跨学科教学与研究的校内综合办学单位。作为深圳大学内部探索全面改革创新的学术特区,高等研究院与香港和海外著名高校合作,借鉴国外研究型大学通行的管理模式,引进具有一流视野的资深教授和发展潜力的青年教师,营造与国际接轨的学术氛围和培养环境,开展卓越的教学、研究和管理工作。 ······

人员信息

ZAHID RASHID(李武课题组)

Ph. D.

Email:Z.Rashid@szu.edu.cn

Address:  Room 339, Administration Building, Shenzhen University, Nanshan District, Shenzhen, Guangdong, China, 518060


 

EDUCATION:

2009—2013: Ph.D. (Theoretical Chemistry)Debye Institute for Nanomaterials Science, Utrecht Unversity, The Netherlands

2008—2009: M.Sc. (Theoretical Chemistry)Debye Institute for Nanomaterials Science, Utrecht Unversity, The Netherlands

2003—2006: M.Sc. (Organic Chemistry)Institute of Chemistry, University of the Punjab, Pakistan

2001—2003: B.Sc. (Chemistry)Government College Sahiwal, Bahauddin Zakariya University, Multan, Pakistan


 

RESEARCH INTREST:

Development of new methods and algorithms in ab initio electronic structure theory and the application of ab initio quantum mechanical methods (computer codes) to solve problems of interest


 

PUBPLICATIONS:

Zahid Rashid, Joop H. van Lenthe, Remco W.A. Havenith, “Bonding in B2 and B+2: Insights from full configuration interaction and valence bond studies”, Computational and Theoretical Chemistry, 2017, in press, doi: 10.1016/j.comptc.2017.02.001

Zahid Rashid and Joop H. van Lenthe; "A Quadratically Convergent VBSCF Method", J. Chem. Phys., 2013, 138, 054105. doi: 10.1063/1.4788765

Elwin Molenbroek, Natan Straathof, Sebastian Dück, Zahid Rashid, Joop H. van Lenthe, Martin Lutz, Aurore Gandubert, Robertus J. M. Klein Gebbink, Luisa De Cola and Sylvestre Bonnet; "Zinc Coordination to the Bapbpy Ligand in Homogeneous Solutions and at Liposomes: Zinc Detection via Fluorescence Enhancement", Dalton Trans., 2013, 42, 2973-2984. doi: 10.1039/c2dt32488a

Zahid Rashid, Joop H. van Lenthe and Remco W. A. Havenith; "Resonance And Aromaticity: An Ab Initio Valence Bond Approach", J. Phys. Chem. A, 2012, 116, 4778-4788. doi: 10.1021/jp211105t

Joop H. van Lenthe, Ria Broer and Zahid Rashid; "On the Efficiency of VBSCF Algorithms, A Comment on An Efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory", J. Comput. Chem. 2012, 33, 911-913. doi: 10.1002/jcc.22924

Zahid Rashid and Joop H. van Lenthe; "Generation Of Kekulé Valence Structures And The Corresponding Valence Bond Wave Function", J. Comput. Chem. 2011, 32, 696-708. doi: 10.1002/jcc.21655


 

BOOK CHAPTER:

Zahid Rashid, Ria Broer, Joop H. van Lenthe and Remco W. A. Havenith; “Valence Bond Theory in Heterocyclic Chemistry”, published in “Topics in Heterocyclic Chemistry: Structure, Bonding and Reactivity of Heterocyclic Compounds”, Vol. 38, Frank De Proft and Paul Geerlings (Eds.), ISBN 978-3-642-45148-5, Springer-Verlag: Berlin and Heidelberg GmbH & Co. (November, 2014, pp-103-128)


 

CONFERENCES, WORKSHOPS, SUMMER/WINTER SCHOOLS:

16th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC), Houf- falize, Belgium. (Sep. 2014) Presentation “A Quadratically Convergent VBSCF Method”.

Workshop on ab initio Valence Bond Theory, Paris, France. (Jul. 2012) Presentation “A Quadratically Convergent VBSCF Method”.

Symposium on Joop’s 60th Birthday “From He2 to Proteins: Accurate Theoretical Methods in Chem- istry”, Oudega, The Netherlands. (Sep. 2011) Presentation “Generation of Kekulé Valence Structures and the Corresponding Valence Bond Wavefunctions”.

Workshop on Strongly Correlated Systems, Cooperativity and VB Theory, A Cronia, Spain. (Jul. 2011) Poster “Resoncance And Aromaticity. An Ab initio Valence Bond Approach”.

Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists, Santiago de Compostela, Spain. (Jul. 2011) Poster “Resoncance And Aromaticity. An Ab initio Valence Bond Approach”.

NWO Scientific meeting on Chemistry related to Physics & Material Sciences, Veldhoven, The Netherlands. (Mar. 2011) Presentation “Generation of Kekulé Valence Structures and the Corresponding VB Wavefunctions”.

Graduate Course on Theoretical Chemistry and Spectroscopy, Han-sur-Lesse, Belgium. (Dec. 2010) Presentation “Resoncance And Aromaticity. An Ab initio VBSCF Study In Terms Of Kekulé Structures”.

8th International And 20th National Chemisty Conference 2010, Islamabad, Pakistan. (Feb. 2010) Presentation “Resoncance And Aromaticity Of PAHs. An Ab initio VBSCF Study In Terms Of Kekulé Structures”.

Graduate Course on Theoretical Chemistry and Spectroscopy, Han-sur-Lesse, Belgium. (Dec. 2009) Presentation “On The Enumeration And Storage Of Kekulé Structures To Generate VB Wavefunctions”.