中国科学院计算技术研究所机构知识库

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发表日期：2021

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	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
	Improve the Resolution and Parallel Performance of the Three-Dimensional Refine Algorithm in RELION Using CUDA and MPI 期刊论文 IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2021, 卷号: 18, 期号: 2, 页码: 583-595 作者:  Zhang, Jingrong;  Wang, Zihao;  Liu, Zhiyong;  Zhang, Fa 收藏  |  浏览/下载：37/0  |  提交时间：2021/12/01 Memory management  Graphics processing units  Arrays  Statistical analysis  Three-dimensional displays  cryoEM  RELION  CUDA  statistical method  Top-k selection
	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