Dr. MacDougall participates in both the Molecular Biosciences and the Computational Sciences Ph.D. programs at MTSU. His area of research is theoretical chemistry, with interests in the development of quantum chemistry-based design tools for pharmacology and molecular electronics (please see publication list). He is also engaged in the development of models of molecular geometry and chemical reactivity, and exploring the use of molecular modeling in chemical education. He has been an invited speaker at universities in Italy, Germany, China and Australia, as well as many here in the United States.
The image below is a volume rendering of the Laplacian of the electron density computed for a penamecillin molecule. This research was done with collaborators at the NASA Ames Research Center in the heart of Silicon Valley. See further details here. If you would like to see a computational model of a molecule of vitamin B12 doing a pirouette, click here. Note that this requires a mpeg player, and loads over 6 MBytes of molecular beauty.