Genetic Algorithms and Machine Learning for Predicting Surface Composition, Structure, and Chemistry: A Historical Perspective and Assessment

Genetic algorithms (GA) and machine learning (ML) have a long history of development and use in chemistry. Recent algorithmic and computational advances, however, have brought these methods to the forefront of chemical research, and chemistry is experiencing a transformation in the way that machines...

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Veröffentlicht in:Chemistry of materials 2021-09, Vol.33 (17), p.6589-6615
Hauptverfasser: Roberts, Josiah, Bursten, Julia R. S, Risko, Chad
Format: Artikel
Sprache:eng
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