Making thermodynamic models of mixtures predictive by machine learning: matrix completion of pair interactions

Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (continuous) conditions like temperature and concentration. On the other hand, matrix completion methods (MCMs) from machi...

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Detalles Bibliográficos
Autores principales: Jirasek, Fabian, Bamler, Robert, Fellenz, Sophie, Bortz, Michael, Kloft, Marius, Mandt, Stephan, Hasse, Hans
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9067573/
https://www.ncbi.nlm.nih.gov/pubmed/35655876
http://dx.doi.org/10.1039/d1sc07210b

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9067573/
https://www.ncbi.nlm.nih.gov/pubmed/35655876
http://dx.doi.org/10.1039/d1sc07210b

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