Zhang Y - Search Results

1

Photoinduced Desorption Dynamics of CO from Pd(111): A Neural Network Approach.

Serrano Jiménez A, Sánchez Muzas AP, Zhang Y, Ovčar J, Jiang B, Lončarić I, Juaristi JI, Alducin M. Serrano Jiménez A, et al. Among authors: zhang y. J Chem Theory Comput. 2021 Aug 10;17(8):4648-4659. doi: 10.1021/acs.jctc.1c00347. Epub 2021 Jul 19. J Chem Theory Comput. 2021. PMID: 34278798 Free PMC article.

Here, we use the new embedded atom neural network (EANN) method [Zhang, Y.; J. Phys. Chem. Lett. 2019, 10, 4962] to develop an accurate and extremely complex potential energy surface (PES) that allows us a detailed and reliable description of the photoinduced desorp …

Here, we use the new embedded atom neural network (EANN) method [Zhang, Y.; J. Phys. Chem. Lett. 2019, 10, 4962] to develop an …

2

Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface.

Zhou X, Nattino F, Zhang Y, Chen J, Kroes GJ, Guo H, Jiang B. Zhou X, et al. Among authors: zhang y. Phys Chem Chem Phys. 2017 Nov 22;19(45):30540-30550. doi: 10.1039/c7cp05993k. Phys Chem Chem Phys. 2017. PMID: 29115358

3

Dissociative Chemisorption of O₂ on Al(111): Dynamics on a Correlated Wave-Function-Based Potential Energy Surface.

Yin R, Zhang Y, Libisch F, Carter EA, Guo H, Jiang B. Yin R, et al. Among authors: zhang y. J Phys Chem Lett. 2018 Jun 21;9(12):3271-3277. doi: 10.1021/acs.jpclett.8b01470. Epub 2018 Jun 5. J Phys Chem Lett. 2018. PMID: 29843512 Free PMC article.

4

Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111).

Chen J, Zhou X, Zhang Y, Jiang B. Chen J, et al. Among authors: zhang y. Nat Commun. 2018 Oct 2;9(1):4039. doi: 10.1038/s41467-018-06478-6. Nat Commun. 2018. PMID: 30279479 Free PMC article.

5

Hot-electron effects during reactive scattering of H₂ from Ag(111): the interplay between mode-specific electronic friction and the potential energy landscape.

Zhang Y, Maurer RJ, Guo H, Jiang B. Zhang Y, et al. Chem Sci. 2018 Nov 8;10(4):1089-1097. doi: 10.1039/c8sc03955k. eCollection 2019 Jan 28. Chem Sci. 2018. PMID: 30774906 Free PMC article.

6

Bridging the Gap between Direct Dynamics and Globally Accurate Reactive Potential Energy Surfaces Using Neural Networks.

Zhang Y, Zhou X, Jiang B. Zhang Y, et al. J Phys Chem Lett. 2019 Mar 21;10(6):1185-1191. doi: 10.1021/acs.jpclett.9b00085. Epub 2019 Mar 1. J Phys Chem Lett. 2019. PMID: 30802067

7

Hot electron effects during reactive scattering of H₂ from Ag(111): assessing the sensitivity to initial conditions, coupling magnitude, and electronic temperature.

Maurer RJ, Zhang Y, Guo H, Jiang B. Maurer RJ, et al. Among authors: zhang y. Faraday Discuss. 2019 May 23;214(0):105-121. doi: 10.1039/c8fd00140e. Faraday Discuss. 2019. PMID: 30810552

8

Embedded Atom Neural Network Potentials: Efficient and Accurate Machine Learning with a Physically Inspired Representation.

Zhang Y, Hu C, Jiang B. Zhang Y, et al. J Phys Chem Lett. 2019 Sep 5;10(17):4962-4967. doi: 10.1021/acs.jpclett.9b02037. Epub 2019 Aug 14. J Phys Chem Lett. 2019. PMID: 31397157

9

Strong Vibrational Relaxation of NO Scattered from Au(111): Importance of the Adiabatic Potential Energy Surface.

Yin R, Zhang Y, Jiang B. Yin R, et al. Among authors: zhang y. J Phys Chem Lett. 2019 Oct 3;10(19):5969-5974. doi: 10.1021/acs.jpclett.9b01806. Epub 2019 Sep 23. J Phys Chem Lett. 2019. PMID: 31538787

10

Automatically growing global reactive neural network potential energy surfaces: A trajectory-free active learning strategy.

Lin Q, Zhang Y, Zhao B, Jiang B. Lin Q, et al. Among authors: zhang y. J Chem Phys. 2020 Apr 21;152(15):154104. doi: 10.1063/5.0004944. J Chem Phys. 2020. PMID: 32321263

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