Design of Organic Electronic Materials With a Goal-Directed Generative Model Powered by Deep Neural Networks and High-Throughput Molecular Simulations

In recent years, generative machine learning approaches have attracted significant attention as an enabling approach for designing novel molecular materials with minimal design bias and thereby realizing more directed design for a specific materials property space. Further, data-driven approaches ha...

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Detalles Bibliográficos
Autores principales: Kwak, H. Shaun, An, Yuling, Giesen, David J., Hughes, Thomas F., Brown, Christopher T., Leswing, Karl, Abroshan, Hadi, Halls, Mathew D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8802168/
https://www.ncbi.nlm.nih.gov/pubmed/35111730
http://dx.doi.org/10.3389/fchem.2021.800370

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