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David Sherrill

chemist

David Sherrill

American chemist

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About David Sherrill

Charles David Sherrill is a professor of chemistry and computational science and engineering at Georgia Tech working in the areas of theoretical chemistry, computational quantum chemistry, and scientific computing. His research focuses on the development and application of theoretical methods for non-covalent interactions between molecules. He is the lead principal investigator of the Psi open-source quantum chemistry program.

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Occupation: chemist
Citizenship: United States
Born: April 5, 1970

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Facts from Wikidata (CC0). Image by CDSherrill via Wikimedia Commons (CC BY-SA 4.0).

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Advances in methods and algorithms in a modern quantum chemistry program package.Estimates of the ab initio limit for pi-pi interactions: the benzene dimer Advances in molecular quantum chemistry contained in the Q-Chem 4 program package High-accuracy quantum mechanical studies of pi-pi interactions in benzene dimers Psi4: an open-source ab initio electronic structure program Substituent effects in pi-pi interactions: sandwich and T-shaped configurations.Basis set consistent revision of the S22 test set of noncovalent interaction energies.An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the methane dimer, benzene-methane, and benzene-H2S.Georgia Tech University of California, Berkeley