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Machine Learning Assisted Clustering of Nanoparticle Structures
[Image: see text] We propose a scheme for the automatic separation (i.e., clustering) of data sets composed of several nanoparticle (NP) structures by means of Machine Learning techniques. These data sets originate from atomistic simulations, such as global optimizations searches and molecular dynam...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9875306/ https://www.ncbi.nlm.nih.gov/pubmed/36597194 http://dx.doi.org/10.1021/acs.jcim.2c01203 |