Jiang B - Search Results

1

Toward Efficient and Unified Treatment of Static and Dynamic Correlations in Generalized Kohn-Sham Density Functional Theory.

Wang Y, Lin Z, Ouyang R, Jiang B, Zhang IY, Xu X. Wang Y, et al. Among authors: jiang b. JACS Au. 2024 Aug 12;4(8):3205-3216. doi: 10.1021/jacsau.4c00488. eCollection 2024 Aug 26. JACS Au. 2024. PMID: 39211596 Free PMC article.

2

Determining the Effect of Hot Electron Dissipation on Molecular Scattering Experiments at Metal Surfaces.

Box CL, Zhang Y, Yin R, Jiang B, Maurer RJ. Box CL, et al. Among authors: jiang b. JACS Au. 2020 Dec 22;1(2):164-173. doi: 10.1021/jacsau.0c00066. eCollection 2021 Feb 22. JACS Au. 2020. PMID: 34467282 Free PMC article.

3

Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors.

Zhao L, Zhang J, Zhang Y, Ye S, Zhang G, Chen X, Jiang B, Jiang J. Zhao L, et al. Among authors: jiang b, jiang j. JACS Au. 2021 Nov 25;1(12):2377-2384. doi: 10.1021/jacsau.1c00449. eCollection 2021 Dec 27. JACS Au. 2021. PMID: 34977905 Free PMC article.

4

Understanding the Photoinduced Desorption and Oxidation of CO on Ru(0001) Using a Neural Network Potential Energy Surface.

Žugec I, Tetenoire A, Muzas AS, Zhang Y, Jiang B, Alducin M, Juaristi JI. Žugec I, et al. Among authors: jiang b. JACS Au. 2024 May 10;4(5):1997-2004. doi: 10.1021/jacsau.4c00197. eCollection 2024 May 27. JACS Au. 2024. PMID: 38818055 Free PMC article.

5

A pragmatic protocol for determining charge transfer states of molecules at metal surfaces by constrained density functional theory.

Meng G, Jiang B. Meng G, et al. Among authors: jiang b. J Chem Phys. 2022 Dec 7;157(21):214103. doi: 10.1063/5.0124054. J Chem Phys. 2022. PMID: 36511529

6

Efficient Construction of Excited-State Hessian Matrices with Machine Learning Accelerated Multilayer Energy-Based Fragment Method.

Chen WK, Zhang Y, Jiang B, Fang WH, Cui G. Chen WK, et al. Among authors: jiang b. J Phys Chem A. 2020 Jul 9;124(27):5684-5695. doi: 10.1021/acs.jpca.0c04117. Epub 2020 Jun 26. J Phys Chem A. 2020. PMID: 32530626

7

REANN: A PyTorch-based end-to-end multi-functional deep neural network package for molecular, reactive, and periodic systems.

Zhang Y, Xia J, Jiang B. Zhang Y, et al. Among authors: jiang b. J Chem Phys. 2022 Mar 21;156(11):114801. doi: 10.1063/5.0080766. J Chem Phys. 2022. PMID: 35317591

8

A modified generalized Langevin oscillator model for activated gas-surface reactions.

Zhou X, Jiang B. Zhou X, et al. Among authors: jiang b. J Chem Phys. 2019 Jan 14;150(2):024704. doi: 10.1063/1.5078541. J Chem Phys. 2019. PMID: 30646703

9

Universal machine learning for the response of atomistic systems to external fields.

Zhang Y, Jiang B. Zhang Y, et al. Among authors: jiang b. Nat Commun. 2023 Oct 12;14(1):6424. doi: 10.1038/s41467-023-42148-y. Nat Commun. 2023. PMID: 37827998 Free PMC article.

10

A Machine-Learning Protocol for Ultraviolet Protein-Backbone Absorption Spectroscopy under Environmental Fluctuations.

Zhang J, Ye S, Zhong K, Zhang Y, Chong Y, Zhao L, Zhou H, Guo S, Zhang G, Jiang B, Mukamel S, Jiang J. Zhang J, et al. Among authors: jiang b, jiang j. J Phys Chem B. 2021 Jun 17;125(23):6171-6178. doi: 10.1021/acs.jpcb.1c03296. Epub 2021 Jun 4. J Phys Chem B. 2021. PMID: 34086461

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