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Research

Prof R Q Zhang
Department of Physics
City University of Hong Kong, Hong Kong SAR

Tel: +852 3442 7849; Fax: +852 3442 0538
E-mail: aprqz@cityu.edu.hk


RESEARCH POSITIONS AVAILABLE:

(1) Postdoc opportunities: contact me directly by sending CV to aprqz@cityu.edu.hk

(2) Ph.D studies (4-year direct Ph.D for candidates with BSc, or 3-year Ph.D for candidates with MPhil or MSc):

      (a)    for government funded program, please submit your application to: 

               https://banweb.cityu.edu.hk/pls/PROD/hwskalog_cityu.P_DispLoginNon 

               For more information, please visit: http://www.sgs.cityu.edu.hk/prospective/rpg            

      (b)    for Hong Kong PhD Fellowship Scheme, please follow the Application Process and Time Lines:

               To register at RGC: http://cerg1.ugc.edu.hk/hkpfs/index.html

               To submit full application to CityU: see (a) 

            (English Proficiency Requirements: http://www.cityu.edu.hk/sgs/download/rpg/prospective/handbook.pdf )

 

RESEARCH INTERESTS:

Energetics, kinetics and dynamics involved in formation/growth/reaction of low-dimensional functional materials and the materials’ novel properties studied using computational and experimental approaches. The theoretical and computational approaches adopted include optimization algorithms, molecular dynamics simulations and Monte Carlo methods, based on multi-level theories ranging from molecular mechanics, semiempirical theories, to first-principles theories. Recent research focus is on nanoscience, including interactions of nanomaterials with chemical, biological, and medical systems, aiming at promoting the applications of nanostructured materials in energy-related and chemical, biological, medical, and environmental areas. Developments of related theories and methodologies.

 

PUBLICATIONS

 

Full list of publications can be found at Research ID.

(i) Total number of citations : >7000

(ii) h-index = 43

 

Research papers and Citation indices in: Google Scholar; Research ID

 

 

RESEARCH AWARDS:

(1) "Third-class award of the State Natural Science Award" (#24-3-003-02) by the State Council of China for the outstanding research, 1997  

(2) "First-class Award of Scientific and Technological Development" (#96-017), Council of Education of China, 1997

(3) "Friedrich Wilhelm Bessel Research Awards" ( http://www.avh.de/web/bessel-award.html  ), The Alexander von Humboldt Foundation, 2004

(4) "Second-class award of the State Natural Science Award" by the State Council of China for the outstanding research, 2005

 

RECENT BOOK(S) or BOOK CHAPTER(S):

(1) R.Q. Zhang: "Growth Mechanisms and Novel Properties of Silicon Nanostructures from Quantum-Mechanical Calculations" (http://www.springer.com/chemistry/theoretical+and+computational+chemistry/book/978-3-642-40904-2?otherVersion=978-3-642-40905-9)

(2) R.Q. Zhang, A. De Sarkar: "Theoretical Studies on Formation, Property Tuning and Adsorption of Graphene Segments" (http://www.intechopen.com/articles/show/title/theoretical-studies-on-formation-property-tuning-and-adsorption-of-graphene-segments )

 

EXTERNAL RESEARCH GRANTS: (since 1999)

Over HK$ 8 million external research funding: PI of 12 GRF/CERG grants from RGC (~HK$4.5M) and Co-PI of 3 CRF grants from RGC (over ~HK$3.5M out of ~HK$20M of total funding of the 3 projects)

 

RESEARCH TOOLS:

(1) Hardware: 

(i) 3 PC clusters for parallel computations

            a) 26 CPUs (2.8GHz with HT Technology); b) 8 CPUs (2.45GHz); c) 12 CPUs (2.2GHz; AMD Opteron 64-bit)

(ii) User of a supercomputer SGI Alitx,with 64 x Intel Itanium2 1.5GHz, 128GB Main Memory, and OS - 64bit SuSE Enterprise Server Linux

(iii) User of a cluster containing 2,048 cores within 256 Dell PowerEdge M600 blade compute nodes, three PowerEdge 2950 I/O nodes and two PowerEdge 1950 login/management nodes. All compute nodes are connected via the InfiniBand(IB) interconnect: http://www.sci.hkbu.edu.hk/hpccc/sciblade/

 (2) Theories: 

(i) Geometric and electronic structures: Hartree-Fock, DFT, MP2

(ii) Molecular dynamics:  FFMD, TBMD, DFTBMD, DFMD

(iii) Chemical reaction – kinetic theories: RRKM, TST, Polyrate

(iv) Optical properties - excited states: Time-dependent Hartree-Fock/DFT

(v) Electrical properties - transport: Orthodox theory, non-equilibrium Green function

 

 


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