Search for Catalysts by Inverse Design: Artificial Intelligence, Mountain Climbers, and Alchemists.
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DOI: 10.1021/acs.chemrev.8b00759
Abstract: In silico catalyst design is a grand challenge of chemistry. Traditional computational approaches have been limited by the need to compute properties for an intractably large number of possible catalysts. Recently, inverse design methods have… read more here.
Keywords: catalysts inverse; search catalysts; design artificial; inverse design ... See more keywords