Featured Publications

Explaining and Predicting Two-Photon Absorption with Machine Learning
Explaining and Predicting Two-Photon Absorption with Machine Learning

Yuming Su, Yiheng Dai, Yifan Zeng, Caiyun Wei, Yangtao Chen, Fuchun Ge, Peikun Zheng, Da Zhou*, Pavlo O. Dral*, Cheng Wang*. Interpretable Machine Learning of Two-Photon AbsorptionAdv. Sci. 2023, 2204902. DOI: 10.1002/advs.202204902.

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Book “Quantum Chemistry in the Age of Machine Learning”
Book “Quantum Chemistry in the Age of Machine Learning”
AIQM1: Artificial Intelligence–Quantum Mechanical Method 1
AIQM1: Artificial Intelligence–Quantum Mechanical Method 1

Peikun Zheng, Roman Zubatyuk, Wei Wu, Olexandr Isayev, Pavlo O. Dral, Artificial Intelligence-Enhanced Quantum Chemical Method with Broad ApplicabilityNat. Commun.202112, 7022. DOI: 10.1038/s41467-021-27340-2.

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