Sherrill Group's Lecture Series in Theoretical Chemistry

About The Professor


B.S. Chemistry, Massachusetts Institute of Technology, 1992; Ph.D. Chemistry, University of Georgia, 1996

Research Interests: 

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 biological and organic molecules, excited electronic states, and organometallic catalysts.  We 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.  We are developing improved algorithms for quantum chemistry based on density fitting and other rank-reduction techniques.  We 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 []

David Sherrill
David Sherrill
Name: David Sherrill
Institution: Georgia Institute of Technology