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Compressed sensing improved iterative reconstruction-reprojection algorithm for electron tomography 期刊论文
BMC BIOINFORMATICS, 2020, 卷号: 21, 页码: 19
作者:  Li, Lun;  Han, Renmin;  Zhang, Zhaotian;  Guo, Tiande;  Liu, Zhiyong;  Zhang, Fa
收藏  |  浏览/下载:29/0  |  提交时间:2021/12/01
Electron tomography  Compressed sensing  Matching pursuit  Iterative reconstruction-reprojection  
SHREC 2020: Classification in cryo-electron tomograms 期刊论文
COMPUTERS & GRAPHICS-UK, 2020, 卷号: 91, 页码: 279-289
作者:  Gubins, Ilja;  Chaillet, Marten L.;  van der Schot, Gijs;  Veltkamp, Remco C.;  Forster, Friedrich;  Hao, Yu;  Wan, Xiaohua;  Cui, Xuefeng;  Zhang, Fa;  Moebel, Emmanuel;  Wang, Xiao;  Kihara, Daisuke;  Zeng, Xiangrui;  Xu, Min;  Nguyen, Nguyen P.;  White, Tommi;  Bunyak, Filiz
收藏  |  浏览/下载:55/0  |  提交时间:2020/12/10
Cryo-electron tomography  Computer vision  Pattern recognition  Protein classification  Benchmark  
Spark-based parallel calculation of 3D fourier shell correlation for macromolecule structure local resolution estimation 期刊论文
BMC BIOINFORMATICS, 2020, 卷号: 21, 页码: 18
作者:  Lue, Yongchun;  Zeng, Xiangrui;  Tian, Xinhui;  Shi, Xiao;  Wang, Hui;  Zheng, Xiaohui;  Liu, Xiaodong;  Zhao, Xiaofang;  Gao, Xin;  Xu, Min
收藏  |  浏览/下载:52/0  |  提交时间:2020/12/10
3D local Fourier shell correlation  3D local resolution map  Key-value data  Spark  3D array partition  
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:51/0  |  提交时间:2020/12/10
Density-functional theory  Hartree-Fock  Hybrid functionals  Numeric atomic orbitals  Linear scaling  MPI  
Influence of high-energy local orbitals and electron-phonon interactions on the band gaps and optical absorption spectra of hexagonal boron nitride 期刊论文
PHYSICAL REVIEW B, 2020, 卷号: 102, 期号: 4, 页码: 9
作者:  Shen, Tong;  Zhang, Xiao-Wei;  Shang, Honghui;  Zhang, Min-Ye;  Wang, Xinqiang;  Wang, En-Ge;  Jiang, Hong;  Li, Xin-Zheng
收藏  |  浏览/下载:51/0  |  提交时间:2020/12/10
The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 14, 页码: 2897-2906
作者:  Shang, Honghui;  Yang, Jinlong
收藏  |  浏览/下载:29/0  |  提交时间:2020/12/10
The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package 期刊论文
INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS, 2020, 卷号: 34, 期号: 2, 页码: 159-168
作者:  Qin, Xinming;  Shang, Honghui;  Xu, Lei;  Hu, Wei;  Yang, Jinlong;  Li, Shigang;  Zhang, Yunquan
收藏  |  浏览/下载:45/0  |  提交时间:2020/12/10
Distributed algorithms  hybrid density-functional calculations  HONPAS package  electron repulsion integrals  parallel implementation