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Towards determining the presence of barren plateaus in some chemically inspired variational quantum algorithms 期刊论文
COMMUNICATIONS PHYSICS, 2024, 卷号: 7, 期号: 1, 页码: 9
作者:  Mao, Rui;  Tian, Guojing;  Sun, Xiaoming
收藏  |  浏览/下载:1/0  |  提交时间:2024/12/06
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:18/0  |  提交时间:2023/12/04
Quantum computing  Variational quantum eigensolver  Matrix product state  Quantum chemistry  Parallel scalability  
Deep learning enabled topological design of exceptional points for multi-optical-parameter control 期刊论文
COMMUNICATIONS PHYSICS, 2023, 卷号: 6, 期号: 1, 页码: 9
作者:  Fu, Peng;  Du, Shuo;  Lan, Wenze;  Hu, Leyong;  Wu, Yiqing;  Li, Zhenfei;  Huang, Xin;  Guo, Yang;  Zhu, Weiren;  Li, Junjie;  Liu, Baoli;  Gu, Changzhi
收藏  |  浏览/下载:25/0  |  提交时间:2023/12/04
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:44/0  |  提交时间:2021/12/01
Density-functional perturbation theory  Many-core architecture  Linear scaling  MPI  Numeric atomic orbitals  
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:42/0  |  提交时间:2021/12/01
Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory  
The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2020, 卷号: 254, 页码: 9
作者:  Shang, Honghui;  Xu, Lei;  Wu, Baodong;  Qin, Xinming;  Zhang, Yunquan;  Yang, Jinlong
收藏  |  浏览/下载:58/0  |  提交时间:2020/12/10
Density-functional theory  Hartree-Fock  Hybrid functionals  Numeric atomic orbitals  Linear scaling  MPI  
Hybrid-optimization strategy for the communication of large-scale Kinetic Monte Carlo simulation 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2017, 卷号: 211, 页码: 113-123
作者:  Wu, Baodong;  Li, Shigang;  Zhang, Yunquan;  Nie, Ningming
收藏  |  浏览/下载:51/0  |  提交时间:2019/12/12
Kinetic Monte Carlo  Communication aggregation  Shared memory  Neighborhood collectives  
Kernel optimization for short-range molecular dynamics 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2017, 卷号: 211, 页码: 31-40
作者:  Hu Changjun;  Wang Xianmeng;  Li Jianjiang;  He Xinfu;  Li Shigang;  Feng Yangde;  Yang Shaofeng;  Bai He
收藏  |  浏览/下载:63/0  |  提交时间:2019/12/12
Molecular Dynamics  OpenMP  SIMD  MIC