Shang H - Search Results

1

Ultrafast Spontaneous Localization of a Jahn-Teller Exciton Polaron in Two-Dimensional Semiconducting CrI₃ by Symmetry Breaking.

Li X, Wang A, Chen H, Tao W, Chen Z, Zhang C, Li Y, Zhang Y, Shang H, Weng YX, Zhao J, Zhu H. Li X, et al. Among authors: shang h. Nano Lett. 2022 Nov 9;22(21):8755-8762. doi: 10.1021/acs.nanolett.2c03689. Epub 2022 Oct 28. Nano Lett. 2022. PMID: 36305523

2

Coupled Electronic and Anharmonic Structural Dynamics for Carrier Self-Trapping in Photovoltaic Antimony Chalcogenides.

Tao W, Zhu L, Li K, Chen C, Chen Y, Li Y, Li X, Tang J, Shang H, Zhu H. Tao W, et al. Among authors: shang h. Adv Sci (Weinh). 2022 Sep;9(25):e2202154. doi: 10.1002/advs.202202154. Epub 2022 Jun 26. Adv Sci (Weinh). 2022. PMID: 35754307 Free PMC article.

3

Transient Photoinduced Pb²⁺ Disproportionation for Exciton Self-Trapping and Broadband Emission in Low-Dimensional Lead Halide Perovskites.

Zhang Y, Zhu L, Yang Z, Tao W, Chen Z, Li T, Lei H, Li C, Wang L, Tian W, Li Z, Shang H, Zhu H. Zhang Y, et al. Among authors: shang h. J Am Chem Soc. 2024 Mar 20;146(11):7831-7838. doi: 10.1021/jacs.4c01115. Epub 2024 Mar 6. J Am Chem Soc. 2024. PMID: 38445480

4

Capturing the Electron-Phonon Renormalization in Molecules from First-Principles.

Shang H, Yang J. Shang H, et al. J Phys Chem A. 2021 Apr 1;125(12):2682-2689. doi: 10.1021/acs.jpca.0c10897. Epub 2021 Mar 23. J Phys Chem A. 2021. PMID: 33755483

5

The electron-phonon renormalization in the electronic structure calculation: Fundamentals, current status, and challenges.

Shang H, Yang J. Shang H, et al. J Chem Phys. 2023 Apr 7;158(13):130901. doi: 10.1063/5.0140724. J Chem Phys. 2023. PMID: 37031103

6

The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals.

Shang H, Yang J. Shang H, et al. J Phys Chem A. 2020 Apr 9;124(14):2897-2906. doi: 10.1021/acs.jpca.0c01453. Epub 2020 Mar 27. J Phys Chem A. 2020. PMID: 32181648

7

Efficient implementation of analytical gradients for periodic hybrid functional calculations within fitted numerical atomic orbitals from NAO2GTO.

Qin X, Shang H, Yang J. Qin X, et al. Among authors: shang h. Front Chem. 2023 Jul 27;11:1232425. doi: 10.3389/fchem.2023.1232425. eCollection 2023. Front Chem. 2023. PMID: 37577064 Free PMC article.

8

Transformer-Based Neural-Network Quantum State Method for Electronic Band Structures of Real Solids.

Fu L, Wu Y, Shang H, Yang J. Fu L, et al. Among authors: shang h. J Chem Theory Comput. 2024 Jul 23;20(14):6218-6226. doi: 10.1021/acs.jctc.4c00567. Epub 2024 Jul 8. J Chem Theory Comput. 2024. PMID: 38976399

9

Corrigendum: OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources.

Wu Z, Shang H, Wu Y, Zhang Z, Liu Y, Zhang Y, Ouyang Y, Cui H, Feng X. Wu Z, et al. Among authors: shang h. Front Chem. 2023 Jun 20;11:1239854. doi: 10.3389/fchem.2023.1239854. eCollection 2023. Front Chem. 2023. PMID: 37408561 Free PMC article.

10

Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals.

Shang H, Yang J. Shang H, et al. Front Chem. 2020 Nov 10;8:589992. doi: 10.3389/fchem.2020.589992. eCollection 2020. Front Chem. 2020. PMID: 33240850 Free PMC article.

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