10/03/19 - 9:45 AM to 11:00 AM
Student Seminar Series: Professor David Sherrill
Student Seminar Series
Research in Professor David Sherrill's 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. Researchers seek to apply the most accurate quantum models possible for a given problem, and we specialize in performing systematic studies to thoroughly evaluate the quality of new quantum chemical methods. They are developing improved algorithms for quantum chemistry based on density fitting and other rank-reduction techniques. Researchers have developed highly efficient 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. This work is part of a larger project to provide next-generation open-source quantum chemistry software to the computational chemistry community via our Psi4 program.
Professor Sherrill earned his bachelor's in chemistry from the Massachusetts Institute of Technology, and his doctorate in chemistry from the University of Georgia. He is associate director of the Institute for Data Engineering and Science, and director of the Center for Computational Molecular Science and Technology.