Edwards, Jesse - Florida Agricultural and Mechanical University

研究领域

My dissertation discussed the electronic structure of a wide range of small early transition metal containing molecules using the ab initio techniques: SCF, GVB, MCSCF, CASSCF, MRCI and Density Functional Theory. These systems prepared me to take on even greater challenges as a postdoctoral fellow. My postdoctoral work entailed the precise modeling of the potential energy surfaces of van der Waals complexes containing alkali and alkaline earth metals with halides using MRDCI techniques. These species are relevant in the area of laser spectroscopy and photo-induced charge-transfer (“harpooning”) reactions. My research interest has grown to include the application of ab initio theory, molecular dynamics, and mechanics to determining both physical and electronic properties of materials for biological, environmental, and nanotechnology applications. More specifically, have worked with collaborators both academic and industrial to conduct research in areas of photovoltaics, materials processing, molecular dynamics of various forms of HIV protease and also the estrogen receptor-binding domain. Along with the molecular modeling we have begun developing protocols for polymeric drug delivery systems using experimental and theoretical tools. Both undergraduate and graduate students participate at every level of research with many of my students receiving national and regional recognition.

近期论文

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1. T. Dwight McGee, J. Edwards, A. E. Roitberg, Molecular Dynamics of the Estrogen Receptor alpha: Antagonist to Apo. International Journal of Environmental Research on Public Health, 2008, 5(2), 111-114. 2. R. Parker, A. A. Odukale, C. Batich, and E. Ross, J. Edwards, Molecular Modeling Studies of the Binding Characteristics of Phosphates to Sevelamar Hydrochloride – Assessing a Novel Technique to Reduce Phosphates Contamination, International Journal of Environmental Research on Public Health, 3, pg. 202-208, 2006. 4. D. Thomas, J. Edwards, C. L. Ku, D. Bryan, Y-H Liao, R. Liang, and R. Parker. Morphological Consequence of Sonication on Lignin CNT-Epoxy Composite, Proceedings NSTI-Nanotech 2006, Boston, MA,6,290-292,2006. 5. R. Parker, J. Edwards, R. O’Neal and M. Jack, “Treatise on Why Multiscale Modeling is Required for Understanding the Overall Photoelectric Conversion Efficiency of Organic Photovoltaic Materials”, NOBCChE News, Volume 36 #1, Winter Edition, 2/ 2006 6. R. Parker, R. O’Neal, D. Fisher, K. Davey, R. Liang, J. Edwards, Development of a Biologically Enhanced Carbon Nanotube Based Composite, Nanotech 2005, Technical Proceedings of the 2005 NSTI Nanotechnology Conference and Trade Show, Volume 2, Pages 119-122. 7. J. Edwards, C. Eybl, B. Johnson, Int. Journal of Quantum Mechanics, “Correlation Between Sensitivity and Approximated Heats of Detonation of Several Nitroamines Using Quantum Mechanical Methods”, Vol. 100, 713, 2004.