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Theoretical/Computational Chemist

Location:
Jackson, MS, 39205
Posted:
September 11, 2010

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Resume:

Education

****-******* *********, ******* ***** University,Jackson,MS Ph.D.

**** *******, **** *******, ***** Springs, MS B.Sc

**** *********, **** *******, ***** Springs, MS B.Sc

Work Experience

2008-Present Graduate Research Assistant, Interdisciplinary Center for Nanotoxicity (ICN), Department of Chemistry, Jackson State University, Jackson, MS.

Spring 2010 Teaching Assistant, Department of Chemistry, Jackson State University, Jackson, MS.

2005-2008 Graduate Research Assistant, Computational Center for Molecular Structure and Interactions (CCMSI), Department of Chemistry, Jackson State University, Jackson, MS.

Spring 2006 Teaching Assistant, Department of Chemistry, Jackson State University, Jackson, MS.

Summer 2004 Intern, Computational Center for Molecular Structure and Interactions (CCMSI), Department of Chemistry, Jackson State University, Jackson, MS.

Summer 2001 Intern, High Performance Computing (HPC) - Jackson State University/Mississippi State University Joint Summer Institute Program

Awards and Honors

2008 & 2009 Certificate of Appreciation for Contribution as a Mentor During 2008 and 2009 Summer Institute on Quantum Chemistry, Jackson, MS

2008 First Place Award for The Best Student Poster at 8th Southern School on Computational Chemistry, Jackson, MS

2007 Second Place Award for The Best Student Poster at the 16th Current Trends in Computational Chemistry Conference, Jackson, MS

2007/2008 Who’s Who Among Graduate Students in American Universities and Colleges.

2006-Present Member, Alpha Epsilon Lambda, A national honor society for scholarship and leadership for graduate students with membership only by nomination.

2000-2004 President's List Scholar, Rust College

Professional Memberships

AAAS, American Association for the Advancement of Science

ACS, American Chemical Society

Research Interest

My main research interest is in the field of theoretical/Computational chemistry, and its application in elucidating the nature of intermolecular forces and interactions. My research projects include:

• Computational study of cation- interaction

• Functionalization of Fullerenes.

Professionally Relevant Skills

Electronic Structure Packages:

Gaussian, AIM2000, Molpro, AIMAll,VASP, NWChem, Gamess, HyperChem,Cosmotherm

Scientific Visualization:

GaussView, Molden, ChemBioOffice, VMD, HyperChem, etc.

Protein-ligand docking

Autodock Vina, Pyrx

Graphical Packages:

Origin, MATLAB

Publications

Journal Papers

• Ayorinde Hassan, T.C. Dinadayalane and Jerzy Leszczynski, Effect of Ring Annelation on Li+ – Benzene Interaction: A computational study. Chemical Physics Letters 2007 443(4),205-210 (cited 10 times)

• T.C. Dinadayalane, Ayorinde Hassan, and Jerzy Leszczynski, The effect of ring annelation to benzene on cation-π interactions: DFT study, Journal of Molecular Structure, 2010, 976, 320-323

• Ayorinde Hassan, T.C. Dinadayalane and Jerzy Leszczynski , Structural,energetic,spectroscopic, and AIM analysis of cation-π interactions involving mono- and bi-cyclic annelated benzene systems (in preparation )

Conference Presentations

• Ayorinde Hassan, T. C. Dinadayalane, and Jerzy Leszczynski, Computational study on mono- and di- oxygen addition to C60, “10th Southern School on Material Science and Computational Chemistry”, April 22-24, 2010, Jackson, Mississippi, USA

• Ayorinde Hassan, T.C. Dinadayalane and Jerzy Leszczynski, Comparative Theoretical Study on the Interactions of Alkali Metal Ions (Li+, Na+ and K+) with Benzene: Effect of Sequential Ring Annelation of Six-Membered Aromatic Ring and Bicyclo[2.1.1]Hexene to Benzene, “8th Southern School on Computational Chemistry”, April 25-26, 2008, Jackson, Mississippi, USA

• Ayorinde Hassan, T.C. Dinadayalane and Jerzy Leszczynski, Theoretical Study on the Cation-π interactions of the Ring Fused Benzene Molecules, Book of Abstracts “16th Conference on Current Trends in Computational Chemistry”, November 2-3, 2007, Jackson, Mississippi, USA

• Ayorinde Hassan, T.C. Dinadayalane and Jerzy Leszczynski, Density Functional Theory Study on The Effect of Sequential Ring Annelation to Benzene on Cation-p Interaction, Book of Abstracts “7th Southern School on Computational Chemistry”, April 6-7, 2007, Jackson, Mississippi, USA

• Ayorinde Hassan, T.C. Dinadayalane and Jerzy Leszczynski, Effect of Ring Annelation on Li+-Benzene Interaction: A Theoretical Study, “15th Conference on Current Trends in

Computational Chemistry”, November 3-4, 2006, Jackson, Mississippi, USA



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