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Yiqun Luo

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Category: Theoretical and Computational Chemistry

Predicting the excited-state properties of crystalline organic semiconductors using GW+BSE and machine learning

, Authors: Siyu Gao, Yiqun Luo, Xingyu Liu, Noa Marom

Version 1 posted 20 December 2024

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Category: Theoretical and Computational Chemistry

PAH101: A GW +BSE Dataset of 101 Polycyclic Aromatic Hydrocarbon (PAH) Molecular Crystals

, Authors: Siyu Gao, Xingyu Liu, Yiqun Luo, Xiaopeng Wang, Kaiji Zhao, Vincent Chang, Bohdan Schatschneider, Noa Marom

Version 2 posted 11 December 2024

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ISSN 2573-2293 (Online) ChemRxiv Archive

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