Multi-fidelity prediction of molecular optical peaks with deep learning

Optical properties are central to molecular design for many applications, including solar cells and biomedical imaging. A variety of ab initio and statistical methods have been developed for their prediction, each with a trade-off between accuracy, generality, and cost. Existing theoretical methods...

Full description

Bibliographic Details
Main Authors: Greenman, Kevin P (Author), Green Jr, William H (Author), Gomez-Bombarelli, Rafael (Author)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor), Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor)
Format: Article
Language:English
Published: Royal Society of Chemistry (RSC), 2022-01-05T19:36:22Z.
Subjects:
Online Access:Get fulltext