Xie Y - Search Results

1

Full-dimensional multilayer multiconfigurational time-dependent Hartree study of electron transfer dynamics in the anthracene/C60 complex.

Xie Y, Zheng J, Lan Z. Xie Y, et al. J Chem Phys. 2015 Feb 28;142(8):084706. doi: 10.1063/1.4909521. J Chem Phys. 2015. PMID: 25725750

2

Performance evaluation of the symmetrical quasi-classical dynamics method based on Meyer-Miller mapping Hamiltonian in the treatment of site-exciton models.

Xie Y, Zheng J, Lan Z. Xie Y, et al. J Chem Phys. 2018 Nov 7;149(17):174105. doi: 10.1063/1.5047002. J Chem Phys. 2018. PMID: 30408974

3

Analysis of trajectory similarity and configuration similarity in on-the-fly surface-hopping simulation on multi-channel nonadiabatic photoisomerization dynamics.

Li X, Hu D, Xie Y, Lan Z. Li X, et al. Among authors: xie y. J Chem Phys. 2018 Dec 28;149(24):244104. doi: 10.1063/1.5048049. J Chem Phys. 2018. PMID: 30599730

4

Antiaromatic characteristic analysis of 1,4-diazapentalene derivatives: a theoretical study.

Zheng J, Zhuang X, Qiu L, Xie Y, Wan X, Lan Z. Zheng J, et al. Among authors: xie y. J Phys Chem A. 2015 Apr 23;119(16):3762-9. doi: 10.1021/acs.jpca.5b00163. Epub 2015 Apr 9. J Phys Chem A. 2015. PMID: 25816207

5

Ultrafast Dynamics of Photongenerated Holes at a CH₃OH/TiO₂ Rutile Interface.

Chu W, Saidi WA, Zheng Q, Xie Y, Lan Z, Prezhdo OV, Petek H, Zhao J. Chu W, et al. Among authors: xie y. J Am Chem Soc. 2016 Oct 19;138(41):13740-13749. doi: 10.1021/jacs.6b08725. Epub 2016 Oct 5. J Am Chem Soc. 2016. PMID: 27656768

6

Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping.

Li X, Xie Y, Hu D, Lan Z. Li X, et al. Among authors: xie y. J Chem Theory Comput. 2017 Oct 10;13(10):4611-4623. doi: 10.1021/acs.jctc.7b00394. Epub 2017 Sep 19. J Chem Theory Comput. 2017. PMID: 28862858

7

Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface.

Zheng Q, Saidi WA, Xie Y, Lan Z, Prezhdo OV, Petek H, Zhao J. Zheng Q, et al. Among authors: xie y. Nano Lett. 2017 Oct 11;17(10):6435-6442. doi: 10.1021/acs.nanolett.7b03429. Epub 2017 Sep 19. Nano Lett. 2017. PMID: 28914539

8

Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes.

Xie Y, Jiang S, Zheng J, Lan Z. Xie Y, et al. J Phys Chem A. 2017 Dec 21;121(50):9567-9578. doi: 10.1021/acs.jpca.7b07737. Epub 2017 Dec 12. J Phys Chem A. 2017. PMID: 29172500

9

Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped Semiconductors.

Zhang L, Zheng Q, Xie Y, Lan Z, Prezhdo OV, Saidi WA, Zhao J. Zhang L, et al. Among authors: xie y. Nano Lett. 2018 Mar 14;18(3):1592-1599. doi: 10.1021/acs.nanolett.7b03933. Epub 2018 Feb 8. Nano Lett. 2018. PMID: 29393653

10

Inclusion of Machine Learning Kernel Ridge Regression Potential Energy Surfaces in On-the-Fly Nonadiabatic Molecular Dynamics Simulation.

Hu D, Xie Y, Li X, Li L, Lan Z. Hu D, et al. Among authors: xie y. J Phys Chem Lett. 2018 Jun 7;9(11):2725-2732. doi: 10.1021/acs.jpclett.8b00684. Epub 2018 May 10. J Phys Chem Lett. 2018. PMID: 29732893

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