Awards

Elected Member, International Academy of Quantum Molecular Science (IAQMS), 2024; Herty Medal for Outstanding Contributions from a Chemist in the Southeast, Georgia Section of the American Chemical Society, 2023; Outreach Volunteer of the Year, Georgia Section of the American Chemical Society, 2017; Fellow of the American Association for the Advancement of Science (AAAS), 2014; Fellow of the American Chemical Society, 2011; Fellow of the American Physical Society, 2010;  Vasser Woolley Faculty Fellow, 2008-2010; Distinguished Service Award, Georgia Section of the American Chemical Society, 2008; Class of 1940 W. Howard Ector Outstanding Teacher Award, 2006; National Science Foundation CAREER Award, 2001; Wiley-International Journal of Quantum Chemistry Young Investigator Award, 2001; Camille and Henry Dreyfus New Faculty Awardee, 1999; National Science Foundation Postdoctoral Fellow, 1996-1998; ACS/IBM Graduate Award in Computational Chemistry, 1995; National Science Foundation Graduate Fellow, 1992-1995

Education

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

Research

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.  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 [http://www.psicode.org]

Current CV

Research Keywords

Computational and Theoretical Chemistry; ab initio electronic structure theory and software development; Non-covalent interactions in a variety of settings