Thrust I:MATERIALS DESIGN, SYNTHESIS, AND PROPERTIES EVALUATION: Our research efforts focus on the applications of computational chemistry / molecular modeling to problems in chemistry (molecular and electronic structure and property calculations, elucidation of organic reaction mechanisms; structure activity relationships in natural products and other compounds with significant medicinal and biological activities, and materials science (structure – property relationships in multichromophoric systems, molecular and electronic properties of nanostructured supramolecular assemblies – materials for imaging and electronics). Ab initio, semi-empirical and Monte Carlo simulations methods are used to study the electronic (linear and nonlinear optical properties) as well as the molecular properties of azo-, imine- and vinylene-bridged furan, pyrrole, and thiophene-based organic semiconductors.  Our present focus is on the theoretical studies of organic semiconductors. Overall, projects in these areas are interdisciplinary; involving computation, a wide range of synthetic methodology, and spectroscopic techniques. (2) Hydrogen bonding plays an important role in molecular self-assembly. We are investigating the quantitative role of the hydrogen bond in the aggregation process as well as developing structure – property relationships for multi-functional and multichromophoric materials. (3) Calculations of nonlinear optical properties of supramolecular donor-acceptor systems (Collaboration with Professor JaeTae Seo of the Physics Department). The materials being studied could be possible candidates for a broad range of applications – optoelectronic devices, telecommunications, quantum computing, photodynamic therapy, etc.

Dr. Edmund Moses Ndip Associate Professor, Chemistry and Biochemistry Location: Turner Hall 317 Phone: 17577275396 E-mail: edmund.ndip@hamptonu.edu Expertise: Physical Chemistry, Computational Materials Science, Molecular Spectroscopy, Computer Assisted Instruction

Thrust II: ELUCIDATION OF ORGANIC REACTION MECHANISMS:  We are applying ab initio and semiempirical methods  to investigate organic reaction mechanisms of interest. We are presently continuing our investigations of the photochemical and thermal decomposition channels of small organic acids.

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RESEARCH:  Experimental Physical Chemistry – Laser Spectroscopy (materials characterization); Matrix Isolation Spectroscopy; Computational Chemistry applications to problems in chemistry, biology and materials science; Computer-Assisted Instruction / Simulation Based Learning.

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INSTRUCTIONAL ACTIVITIES:   Instructional activities include teaching undergraduate courses in organic and physical chemistry, and graduate courses in physical chemistry and spectroscopy.  Representative courses include: .  Undergraduate Research (CHE 114, 214, 314, 315, 414, 415), Organic Chemistry I, II (CHE 301, 302 – Laboratory and/or Lecture), Physical Chemistry I, II (CHE 401, 402 – Lecture and Laboratory), Molecular Spectroscopy (CHE 505) – Graduate, Advanced Physical Chemistry I, II (CHE 613, 614) – Graduate, Pre-Med Chemistry I, II (MSD 621, 622), Thesis Research (CHE 650, CHE 681).  We are also involved in modernization of the  Physical Chemistry Laboratory Curriculum with the introduction of experiments in laser and Raman spectroscopies using facilities at the Graduate Physics Research Center (GPRC).

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Thrust III: COMPUTER-ASSISTED INSTRUCTION: Computational science is used to demystify abstract chemistry concepts using grant – supported facilities in TU 119 (Computational Chemistry Laboratory. (http://science.hamptonu.edu/chem/comp_lab.cfm) and FITW facilities inn TU 237.  Additionally, we are investigating the efficacy of problem based learning and simulation based learning in the development of critical thinking skills in the STEM disciplines (particularly, chemistry).