David Sherrill

Charles David Sherrill is a professor of

Sherrill develops methods, algorithms, and software[1] for quantum chemistry. He has introduced efficient density-fitting techniques into several quantum chemistry methods, speeding up computations. His research group obtains highly-accurate results for important prototype chemical systems, and uses these results to develop computational protocols that are faster yet still accurate. Sherrill focuses on intermolecular interactions, and has published definitive studies of the strength, geometric dependence, and substituent effects in prototype interactions including π-π, CH/π, S/π, and cation-π interactions.^[2][3] He has developed extensions of symmetry-adapted perturbation theory (SAPT) to analyze these interactions in terms of their fundamental physical forces (electrostatics, exchange/steric repulsion, induction/polarization, and London dispersion forces).^[4] A fragment-based partitioning of SAPT allows analyses of which non-bonded contacts are most important for binding, and has been used to understand substituent effects in protein-drug binding.^[5] Sherrill has published over 200 peer-reviewed articles on these topics, and presented over 130 invited lectures, including the 2011 Robert S. Mulliken Lecture at the University of Georgia, the keynote talk for the 2015 Workshop on Control of London Dispersion Interactions in Molecular Chemistry in Göttingen, and keynote talks at the 2015 and 2016 meetings of the Southeast Theoretical Chemistry Association.

Sherrill's methods and algorithms are made publicly available to the quantum chemistry community through the open-source quantum chemistry program Psi, developed by his group and collaborators worldwide.

Awards

Sherrill is a Fellow of the American Physical Society,^[6] the American Chemical Society,^[7] and the American Association for the Advancement of Science.^[8]

Education

Sherrill is active in promoting education in

References