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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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通过机器学习揭开关键描述符:朝着具有激发状态分子内质子转移的染色体的理性分子设计

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
概括

我们开发了一种机器学习方法,以准确预测激发状态的分子内部质子转移 (ESIPT) 分子的能量差异. 这加速了用于光电子和传感应用的新型ESIPT化合物的设计.

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Time-resolved Photophysical Characterization of Triplet-harvesting Organic Compounds at an Oxygen-free Environment Using an iCCD Camera06:08

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