Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters

[Image: see text] Structural characterization of nanoclusters is one of the major challenges in nanocluster modeling owing to the multitude of possible configurations of arrangement of cluster atoms. The genetic algorithm (GA), a class of evolutionary algorithms based on the principles of natural ev...

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Detalles Bibliográficos
Autores principales: Raju, Rajesh K., Sivakumar, Saurabh, Wang, Xiaoxiao, Ulissi, Zachary W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10598790/
https://www.ncbi.nlm.nih.gov/pubmed/37824704
http://dx.doi.org/10.1021/acs.jcim.3c01431

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