C. David Sherrill

Born April 5, 1970 in Chattanooga, Tennessee, USA

Regents' Professor, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology

Email:sherrill@gatech.edu
WWW: external link

Herty Medal, Georgia Section of the American Chemical Society (2023); Board Member, WATOC (2022); Fellow of the American Association for the Advancement of Science (2014); Fellow of the American Chemical Society (2011); Fellow of the American Physical Society (2010); Wiley-International Journal of Quantum Chemistry Young Investigator Award (2001); New Faculty Award, Camille and Henry Dreyfus Foundation (1999)

Author of:

Important Contributions:

• Elucidation of the nature of prototype non-covalent interactions, including C-H/π, S-H/π, and cation-π interactions, and the importance of dispersion and charge penetration in π-π interactions. The introduction of generalizations of symmetry-adapted perturbation theory (SAPT) to compute interactions between pairs of functional groups (F-SAPT) or between fragments of a single molecule (ISAPT). Development of improved algorithms for quantum chemistry, particularly SAPT and coupled-cluster methods. High-accuracy benchmark computations of non-covalent interactions in van der Waals dimers and in many-body expansions of the lattice energy of molecular crystals. The introduction of atom pairwise neural network models for intermolecular interactions, based on SAPT energy components.