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Theoretical and Computational Chemistry

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Qiming Sun

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Theoretical and Computational Chemistry

Transfer Learning with Graph Neural Networks for Optoelectronic Properties of Conjugated Oligomers

Chee Kong Lee, Chengqiang Lu, Yue Yu, Qiming Sun, Chang-Yu Hsieh, Shengyu Zhang, Qi Liu, Liang Shi

Version 1 posted 16 November 2020

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Theoretical and Computational Chemistry

Efficient multi-configurational quantum chemistry approach to single-ion magnets based on density matrix embedding theory

Yuhang Ai, Qiming Sun, Hong Jiang

Version 1 posted 21 September 2022

330

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