Interpretable Machine Learning of Two‐Photon Absorption

Interpretable Machine Learning of Two‐Photon Absorption

Abstract Molecules with strong two‐photon absorption (TPA) are important in many advanced applications such as upconverted laser and photodynamic therapy, but their design is hampered by the high cost of experimental screening and accurate quantum chemical (QC) calculations. Here a systematic study...

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Bibliographic Details
Main Authors: Yuming Su, Yiheng Dai, Yifan Zeng, Caiyun Wei, Yangtao Chen, Fuchun Ge, Peikun Zheng, Da Zhou, Pavlo O. Dral, Cheng Wang
Format: Article
Language:English
Published: Wiley 2023-03-01
Series:Advanced Science
Subjects:
conjugation length
machine learning
rational design
two‐photon absorption
Online Access:https://doi.org/10.1002/advs.202204902

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