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Lifelong Machine Learning Potentials

[Image: see text] Machine learning potentials (MLPs) trained on accurate quantum chemical data can retain the high accuracy, while inflicting little computational demands. On the downside, they need to be trained for each individual system. In recent years, a vast number of MLPs have been trained fr...

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Detalles Bibliográficos
Autores principales: Eckhoff, Marco, Reiher, Markus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10308836/
https://www.ncbi.nlm.nih.gov/pubmed/37288932
http://dx.doi.org/10.1021/acs.jctc.3c00279

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