中国科学院计算技术研究所机构知识库

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限定条件	作者：Shang, Honghui    第一作者

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	MPS-VQE: A variational quantum computational chemistry simulator with matrix product states 期刊论文 COMPUTER PHYSICS COMMUNICATIONS, 2024, 卷号: 294, 页码: 9 作者:  Xu, Zhiqian;  Fan, Yi;  Guo, Chu;  Shang, Honghui 收藏  |  浏览/下载：8/0  |  提交时间：2023/12/04 Quantum computing  Variational quantum eigensolver  Matrix product state  Quantum chemistry  Parallel scalability
	Differentiable matrix product states for simulating variational quantum computational chemistry 期刊论文 QUANTUM, 2023, 卷号: 7, 页码: 15 作者:  Guo, Chu;  Fan, Yi;  Xu, Zhiqian;  Shang, Honghui 收藏  |  浏览/下载：2/0  |  提交时间：2024/05/20
	Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 页码: 15 作者:  Tahir, Muhammad N.;  Zhu, Tong;  Shang, Honghui;  Li, Jia;  Blum, Volker;  Ren, Xinguo 收藏  |  浏览/下载：20/0  |  提交时间：2022/12/07
	Growth, Raman Scattering Investigation and Photodetector Properties of 2D SnP 期刊论文 SMALL, 2022, 页码: 9 作者:  Ding, Chuyun;  Yao, Yuyu;  Zhu, Leilei;  Shang, Honghui;  Xu, Peng;  Liu, Xiaolin;  Lin, Jia;  Wang, Feng;  Zhan, Xueying;  He, Jun;  Wang, Zhenxing 收藏  |  浏览/下载：18/0  |  提交时间：2022/12/07 2D layered materials  chemical vapor deposition  field-effect transistors (FETs)  Raman scattering  SnP nanosheets
	Many-core acceleration of the first-principles all-electron quantum perturbation calculations 期刊论文 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 267, 页码: 8 作者:  Shang, Honghui;  Duan, Xiaohui;  Li, Fang;  Zhang, Libo;  Xu, Zhiqian;  Liu, Kan;  Luo, Haiwen;  Ji, Yingrui;  Zhao, Wenxuan;  Xue, Wei;  Chen, Li;  Zhang, Yunquan 收藏  |  浏览/下载：36/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Many-core architecture  Linear scaling  MPI  Numeric atomic orbitals
	Controlled synthesis and Raman study of a 2D antiferromagnetic P-type semiconductor: alpha-MnSe dagger 期刊论文 NANOSCALE, 2021, 页码: 12 作者:  Li, Ningning;  Zhu, Leilei;  Shang, Honghui;  Wang, Feng;  Zhang, Yu;  Yao, Yuyu;  Wang, Junjun;  Zhan, Xueying;  Wang, Fengmei;  He, Jun;  Wang, Zhenxing 收藏  |  浏览/下载：51/0  |  提交时间：2021/12/01
	Capturing the Electron-Phonon Renormalization in Molecules from First-Principles 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 卷号: 125, 期号: 12, 页码: 2682-2689 作者:  Shang, Honghui;  Yang, Jinlong 收藏  |  浏览/下载：19/0  |  提交时间：2021/12/01
	Anharmonic Raman spectra simulation of crystals from deep neural networks 期刊论文 AIP ADVANCES, 2021, 卷号: 11, 期号: 3, 页码: 6 作者:  Shang, Honghui;  Wang, Haidi 收藏  |  浏览/下载：23/0  |  提交时间：2021/12/01
	The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set 期刊论文 AIP ADVANCES, 2021, 卷号: 11, 期号: 1, 页码: 10 作者:  Shang, Honghui 收藏  |  浏览/下载：19/0  |  提交时间：2021/12/01
	Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 258, 页码: 11 作者:  Shang, Honghui;  Liang, WanZhen;  Zhang, Yunquan;  Yang, Jinlong 收藏  |  浏览/下载：34/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory