Research in the Sherrill group focuses on the development of ab initio electronic structure theory and its application to problems of broad chemical interest, including the influence of non-covalent interactions in drug binding, biomolecular structure, organic crystals, and organocatalytic transition states. We seek to apply the most accurate quantum models possible for a given problem, and we specialize in generating high-quality datasets for testing new methods or machine-learning purposes. We have developed highly efficient algorithms and software to perform symmetry-adapted perturbation theory (SAPT) computations of intermolecular interactions, and we have used this software to analyze the nature of non-covalent pi-interactions in terms of electrostatics, London dispersion forces, induction/polarization, and short range exchange-repulsion. 

Ruth Kanfer is a psychologist and professor at Georgia Institute of Technology in the area of Industrial and Organizational Psychology. She is best known for her research in the fields of motivation, goal setting, self-regulation, job search, adult learning, and future of work. Kanfer has received numerous awards for her research contributions including the American Psychological Association Distinguished Scientific Award for an Early Career Contribution in Applied Research in 1989, the Society for Industrial and Organizational Psychology (SIOP) William R. Owens Scholarly Achievement Award in 2006 and the SIOP Distinguished Scientific Contributions Award in 2007. Ruth Kanfer has authored influential papers on a variety of topics including the interaction of cognitive abilities and motivation on performance, the influence of personality and motivation on job search and employment, and a review chapter on motivation in an organizational setting.

John R. Reynolds is a Professor of Chemistry and Biochemistry, and Materials Science and Engineering at the Georgia Institute of Technology with expertise in polymer chemistry and serves as a member of the Center for Organic Photonics and Electronics (COPE). His research interests have involved electrically conducting and electroactive conjugated polymers for over 30 years with work focused to the development of new polymers by manipulating their fundamental organic structure in order to control their optoelectronic and redox properties. His group has been heavily involved in developing new polyheterocycles, visible and infrared light electrochromism, along with light emission from polymer and composite LEDs (both visible and near-infrared) and light emitting electrochemical cells (LECs). Further work is directed to using organic polymers and oligomers in photovoltaic cells.  Reynolds obtained his M.S. (1982) and Ph.D. (1984) degrees from the University of Massachusetts in Polymer Science and Engineering, he has published over 300 peer-reviewed scientific papers, has 15 patents issued and ~25 patents pending, and served as co-editor of the “Handbook of Conducting Polymers” which was published in 2007.  He was awarded the ACS Award in Applied Polymer Science in 2012.  He serves on the editorial board for the journals ACS Applied Materials and Interfaces, Macromolecular Rapid Communications, Polymers for Advanced Technologies, and the Journal of Macromolecular Science, Chemistry.