Exploration of Chemical Space Using Quantum Alchemy

Exploration of Chemical Space Using Quantum Alchemy

Author(s): Guido Falk von Rudorff

Publication: Bunsen-Magazin 2023, 6, 187-190

Publisher: Deutsche Bunsen-Gesellschaft für physikalische Chemie e.V., Frankfurt

Language: English

DOI: 10.26125/jmf0-3f32

Abstract: Materials or compound design is limited by the sheer size of the search space. Either systems of favourable properties are abundant or we require approaches that can consider parts of chemical space as a whole without enumerating systems one-by-one, such as quantum alchemy.

Cite this:  G.F. von Rudorff, Bunsen-Magazin 2023, 6, 187-190, DOI: 10.26125/jmf0-3f32

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