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<pre>Array ( [var] => cut_url ) </pre> Resume for Shujiang Y. for Researcher / Scientist / Chemicals & Petro-Chemicals in La Grange, Illinois. Search More Resumes for Researcher / Scientist on Resumark.com #D8U26JIEE
 

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Resume for Shujiang Y. for Researcher / Scientist / Chemicals & Petro-Chemicals in La Grange, Illinois




Occupation: Researcher / Scientist Industry: Chemicals & Petro-Chemicals
Country: United States City: La Grange
State: Illinois ZIP: 60525



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SHUJIANG Y.
Joint Postdoc, The University of Chicago & Argonne National Laboratory
Address: Center for Nanoscale Materials, Argonne National Laboratory, Argonne, IL
Phone:
Email: ;
SUMMARY:
Expertise in computational simulations of both molecular and periodic systems with first principles
ab initio, molecular mechanics, and semiempirical theoretical methods.
Familiar with global optimization techniques, such as Monte Carlo Basin Hopping and Genetic
Algorithms methods.
Experience with electron transport calculations using nonequilibrium Green's function NEGF.
Knowledge in data mining and machine learning methods.
Experiences with various electronic structure programs, including Gaussian, GPAW, VASP,
Crystal, PWscf, NWChem, etc.; and data mining packages, such as WEKA, SAS, R.
Programming experiences in FORTRAN, C, Visual Basic, Pascal Delphi, Python and Shell
scripting languages.
Experimental background in heterogeneous catalysis, carotene chemistry, industrial petrochemical
process, zeolite synthesis, modification and characterization.
EMPLOYMENT:
Postdoctoral Scholar, jointly at the Department of Chemistry, The University of Chicago, and the
Center for Nanoscale Materials, Argonne National Laboratory, Sept.
Supervisors: Michael D. Hopkins UC and Jeffrey P. Greeley ANL
Theoretical study of inorganic nanoclusters as well as organometallic compounds, aiming for the
theoretical design of novel inorganicorganometallic hybrid materials potentially useful in energy
related applications.
Research Assistant Professor, Computational Materials Science Center, George Mason University,
Oct. – Aug.
Supervisors: Estela BlaistenBarojas and Iosif I. Vaisman
Application of data mining and machine learning approaches for knowledge discovery from
crystallographic databases.
CVShujiang Y.
Research Engineer, Shanghai Research Institute of Petrochemical Technology, China Petrochemical
Corporation SINOPEC, Jul. – Jun.
Experimental design and develop of zeolite based heterogeneous catalysts for petrochemical industry.
Teaching Assistant, in General, Physical, Organic and BioChemistry Labs.
EDUCATION:
Ph. D. in Theoretical/Computational Chemistry, Georgetown University,
Advisor: Miklos Kertesz
Theoretical study of the geometrical, electronic, and vibrational properties of extensively conjugated
materials.
M.S. in Physical Chemistry, Nankai University China,
Experimental design of heterogeneous catalysts for petrochemical reforming and alkylation.
B.S. in Chemistry, Nankai University China,
PROFESSIONAL AWARDS, AFFILIATIONS AND SERVICES:
Graduate School Dissertation Award, Georgetown University, academic year.
Invention and Creation Award of Patents, Shanghai, China, .
Outstanding Young Researcher, Shanghai Research Institute of Petrochemical Technology, China
Petrochemical Corporation SINOPEC, the fiscal year of .
Member of the American Chemical Society ACS, American Physical Society APS, Materials
Research Society MRS, and the International Zeolite Association IZA.
Referee for Journal of Physical Chemistry, Journal of Materials Chemistry, Physical Chemistry
Chemical Physics, International Journal of Hydrogen Energy, New Journal of Chemistry,
Dalton Transactions, etc.
Session Chairs for the Fall ACS meeting, and the International Conference on Artificial
Intelligence ICAI’ meeting.
PUBLICATIONS:
Summary: peerreviewed papers citations, firstauthored and,
patents, with one commercialized.
CVShujiang Y.
I Peerreviewed Papers
[] "Synthesis and Electronic Structures of Tungsten Polyyne Complexes", Shaner, S. E.; Sun, J.; Y., S.; Hopkins, M.
D., in preparation.
[] “Size dependent structures and properties of small CdSe nanoclusters”, Y., S.; Greeley, J. P.; Hopkins, M. D., in
preparation.
[] “Tungstensubstituted phenyleneethynylene complexes: components of photoactive porphyrin/metalalkylidyne
dyads”, Cohen, B. W.; Y., S.; Dallinger, R. F.; Hopkins, M. D., in preparation.
[] “Molecular structure of the luminescent excited state of d tungstenbenzylidyne complexes”, Lovaasen, B. M.;
Lockard, J. V.; Cohen, B. W.; Y., S.; Simpson, C. K.; Chen, L. X.; Hopkins, M. D., in preparation.
[] "Frameworktype determination for zeolite structures in the Inorganic Crystal Structure Database", Y., S.; Lach
hab, M.; Vaisman, I. I.; BlaistenBarojas, E.; Li, X.; Karen, V. L., J. Phys. Chem. Ref. Data , , pp .
[] "Novel approach for clustering zeolite crystal structures", Lachhab, M.; Y., S.; Vaisman, I. I.; BlaistenBarojas, E.,
Molecular Informatics , , .
[] "Machine learning study of the Heulandite family of zeolites", Y., S.; Lachhab, M.; BlaistenBarojas, E.; Li, X.;
Karen, V. L., Micropor. Mesopor. Mater. , , .
[] "Identifying zeolite frameworks with a machine learning approach", Y., S.; Lachhab, M.; Vaisman, I. I.; Blaisten
Barojas, E., J. Phys. Chem. C , , .
[] “Machine learning identification of zeolite framework types”, Y., S.; Lachhab, M.; Vaisman, I. I.; Blaisten
Barojas, E., In Proc. Int. Conf. Artificial Intelligence, .
[] “A cheminformatics approach for zeolite framework determination”, Y., S.; Lachhab, M.; Vaisman, I. I.;
BlaistenBarojas, E., Lecture Notes in Computer Science LNCS , , –.
[] “Energy gaps and their control in thiophenebased polymers and oligomers”, Kertesz, M.; Y., S.; Tian, Y., In
Handbook of ThiopheneBased Materials, Perepichka, I. F.; Perepichka, D. F., Eds.; Wiley: New York, ; Vol. , pp
.
[] “Energetics of linear carbon chains in onedimensional restricted environment”, Kertesz, M.; Y., S., Phys. Chem.
Chem. Phys. , , .
[]. “Machine learning approach for structurebased zeolite classification”, Carr, D. A.; Lachhab, M.; Y., S.;
Vaisman, I. I.; BlaistenBarojas, E., Micropor. Mesopor. Mater. , , .
[]. “Machine Learning Approach for Classification of Zeolite Crystals”, Y., S.; Lachhab, M.; Vaisman, I. I.;
BlaistenBarojas, E., In Proc. Int. Conf. Data Mining, , .
[]. “Linear Cn clusters: are they acetylenic or cumulenic?” Y., S.; Kertesz, M., J. Phys. Chem. A , , .
[]. “Theoretical design of low band gap conjugated polymers through ladders with acetylenic crosspieces”, Y., S.;
Kertesz, M., Macromolecules , , .
[]. “Application of a novel linear/exponential hybrid force field scaling scheme to the longitudinal Raman active mode
of polyyne”, Y., S.; Kertesz, M.; Zolyomi, V.; Kurti, J., J. Phys. Chem. A , , .
[]. “Application of the linear/exponential hybrid force field scaling scheme to the bond length alternation modes of
polyacetylene”, Y., S.; Kertesz, M., Chem. Phys. Lett. , , .
[]. “Double walled carbon nanotube with the smallest inner diameter: a first principles study”, Kurti, J.; Zolyomi, V.;
Y., S.; Kertesz, M., Phys. Stat. Sol. B , , .
[]. "Bond length alternation and energy band gap of polyyne", Y., S.; Kertesz, M., J. Phys. Chem. A. , ,
.
[]. "Conjugated polymers and aromaticity", Kertesz, M.; Choi, C. H.; Y., S., Chem. Rev. , , .
[]. “Linear carbon chain in the interior of a single walled carbon nanotube”, Zólyomi, V.; Rusznyak, A.; Kürti, J.; Y.,
S.; Kertesz, M., In Electronic Properties of Novel Materials; Kuzmany, H.; Fink, J.; Mehring, M.; Roth, S., Eds.;
Proceedings of the Winter School in Kirchberg, Austria, American Institute of Physics, ; p .
[]. “Bond length alternation and charge transfer in a linear carbon chain inside of a single walled carbon nanotube”,
Rusznyák, Á. ; Zólyomi, V.; Kürti, J.; Y., S.; Kertesz, M., Phys. Rev. B. , , pp .
CVShujiang Y.
[]. "Bandgap Calculations for Conjugated Polymers", Y., S.; Olishevski, P.; Kertesz, M., Synth Met. , ,
.
[]. "Operating conditions of vapour phase transalkylati

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