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Speeding Up Discoveries of Organic and Organic-Inorganic Materials by Electronic Structure Theory

May 17, 2018

How do you identify the ideal molecular structure for a solar absorber or, perhaps, for a drug supplied as a powder of molecular crystals? The computing power of one of the world’s most advanced supercomputers can help.

HybriD3

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HybriD3 is a project supported by the National Science Foundation under Award Numbers 2323802, 2323803, and 2323804 (2023-2027) and previously under Award Numbers 1728921, 1729297, 1729383 (2017-2023). Any opinions, findings, and conclusions or recommendations expressed here are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.