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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：18/0  |  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：9/0  |  提交时间：2024/05/20
Redesigning OpenKMC for Multi-Component Trillion-Atom Simulations on the New Sunway Supercomputer 期刊论文
IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2023, 卷号: 34, 期号: 7, 页码: 1997-2010
作者:  Xu, Lei;  Shang, Honghui;  Chen, Xin;  Zhang, Yunquan;  Wang, Lifang;  Gao, Xingyu;  Song, Haifeng
收藏  |  浏览/下载：18/0  |  提交时间：2023/12/04
Metals  Computational modeling  Monte Carlo methods  Kinetic theory  Aging  Steel  Silicon  Atomic kinetic Monte Carlo  many-core processor  scalability  
Breast Cancer Molecular Subtype Prediction on Pathological Images with Discriminative Patch Selection and Multi-Instance Learning 期刊论文
FRONTIERS IN ONCOLOGY, 2022, 卷号: 12, 页码: 11
作者:  Liu, Hong;  Xu, Wen-Dong;  Shang, Zi-Hao;  Wang, Xiang-Dong;  Zhou, Hai-Yan;  Ma, Ke-Wen;  Zhou, Huan;  Qi, Jia-Lin;  Jiang, Jia-Rui;  Tan, Li-Lan;  Zeng, Hui-Min;  Cai, Hui-Juan;  Wang, Kuan-Song;  Qian, Yue-Liang
收藏  |  浏览/下载：36/0  |  提交时间：2022/12/07
pathological image  weakly supervised learning  molecular subtype  breast cancer  H&E  
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：26/0  |  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：44/0  |  提交时间：2021/12/01
Density-functional perturbation theory  Many-core architecture  Linear scaling  MPI  Numeric atomic orbitals  
Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 卷号: 1204, 页码: 10
作者:  Xu, Lei;  Wang, Li-Fang;  Chen, Xin;  Gao, Xing-Yu;  Shang, Hong-Hui;  Liu, Hai-Feng;  Song, Hai-Feng
收藏  |  浏览/下载：46/0  |  提交时间：2021/12/01
Vacancy defects  Dynamical evolution  Pu-Ga alloy  Actinide metals  Atomistic kinetic Monte Carlo  Molecular dynamics  
Predicting the aptamer SYL3C-EpCAM complex's structure with the Martini-based simulation protocol 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 卷号: 23, 期号: 12, 页码: 7066-7079
作者:  Shang, Xu;  Guan, Zhen;  Zhang, Shuai;  Shi, Lulin;  You, Haihang
收藏  |  浏览/下载：34/0  |  提交时间：2021/12/01
Degradation analysis and optimization of temperature effect on MEMRISTOR-based Neural Network Accelerators by electro-thermal simulation 期刊论文
Journal of Physics: Conference Series, 2021, 卷号: 1812, 期号: 1
作者:  Shang,Mengjun;  Yin,Longxiang;  Xu,Ning
收藏  |  浏览/下载：24/0  |  提交时间：2021/12/01
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