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Updated: Feb 20, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

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機械学習によるキーディスクリプタを明らかにする:興奮状態の分子内プロトン転送を持つ染色体の合理的な分子設計へ

Shengsheng Wei1, Zipeng Yang1, Chao Yang1

  • 1State Key Laboratory of Information Photonic and Optical Communications, School of Physical Science and Technology, Beijing University of Posts and Telecommunications (BUPT) Beijing 100876 P.R China andongxia@bupt.edu.cn kuang@bupt.edu.cn.

Chemical science
|February 19, 2026
PubMed
まとめ

私たちは,興奮状態の分子内プロトン転送 (ESIPT) 分子のエネルギー差を正確に予測するための機械学習アプローチを開発しました. これにより,光電子およびセンシングアプリケーションのための新しいESIPT化合物の設計が加速されます.

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