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zhong yu wan
(15 results)?
Accelerating the optimization of enzyme-catalyzed synthesis conditions via machine learning and reactivity descriptors.
Org Biomol Chem. 2021 Jul 21;19(28):6267-6273. doi: 10.1039/d1ob01066b.
Org Biomol Chem. 2021.
PMID: 34195743
Data-driven machine learning model for the prediction of oxygen vacancy formation energy of metal oxide materials.
Wan Z, Wang QD, Liu D, Liang J.
Wan Z, et al.
Phys Chem Chem Phys. 2021 Jul 28;23(29):15675-15684. doi: 10.1039/d1cp02066h.
Phys Chem Chem Phys. 2021.
PMID: 34269780
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A Q-learning method based on coarse-to-fine potential energy surface for locating transition state and reaction pathway.
Xu W, Zhao Y, Chen J, Wan Z, Yan D, Zhang X, Zhang R.
Xu W, et al. Among authors: wan z.
J Comput Chem. 2024 Mar 30;45(8):487-497. doi: 10.1002/jcc.27259. Epub 2023 Nov 15.
J Comput Chem. 2024.
PMID: 37966714
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Machine Learning Prediction of the Exfoliation Energies of Two-Dimension Materials via Data-Driven Approach.
Wan Z, Wang QD.
Wan Z, et al.
J Phys Chem Lett. 2021 Nov 25;12(46):11470-11475. doi: 10.1021/acs.jpclett.1c03335. Epub 2021 Nov 18.
J Phys Chem Lett. 2021.
PMID: 34793172
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