RESEARCH

The Read group runs an interdisciplinary research program utilizing computational chemistry and data science to provide creative solutions to contemporary challenges in synthetic chemistry. Trial-and-error methods for reaction optimization remain widespread in modern synthetic chemistry, despite the current abilities of computational chemistry and data science. Even a well-developed chemical intuition can fail to guide successful reaction design in complex systems. In particular, our focus will be to develop new experimental and computational techniques for studying noncovalent interactions (NCIs), ubiquitous in chemical systems, for the design and optimization of catalytic transformations in organic chemistry.

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Noncovalent interactions (NCIs) in particular can be difficult to predict due to their weak energies and directional dependence. This does not preclude their critical involvement in many chemical transformations, however. NCIs between molecules are ubiquitous in all areas of

chemistry, from enzyme–substrate binding and DNA helix formation to supramolecular self-assembly and asymmetric induction in catalysis. These interactions remain difficult to predict in complex systems and provide obstacles to the rational design of catalysts and accurate prediction of reaction outcomes.

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Students in the Read Lab will gain experience in synthetic organic chemistry, computational chemistry, and data science. Contact jacquelyne.a.read@dartmouth.edu if you are interested!