中国科学院计算技术研究所机构知识库

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	Accurate Calculation of Interatomic Forces with Neural Networks Based on a Generative Transformer Architecture 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 页码: 10 作者:  Lai, Juntao;  Kan, Bowen;  Wu, Yangjun;  Fu, Qiang;  Shang, Honghui;  Li, Zhenyu;  Yang, Jinlong 收藏  |  浏览/下载：1/0  |  提交时间：2024/12/06
	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：25/0  |  提交时间：2021/12/01
	Assessment of the Mass Factor for the Electron-Phonon Coupling in Solids 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125, 期号: 11, 页码: 6479-6485 作者:  Shang, Honghui;  Zhao, Jin;  Yang, Jinlong 收藏  |  浏览/下载：26/0  |  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：42/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory
	Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals 期刊论文 FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 6 作者:  Shang, Honghui;  Yang, Jinlong 收藏  |  浏览/下载：24/0  |  提交时间：2021/12/01 MP2  NAO  real-space  Hartree–  Fock  periodic system
	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
	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：34/0  |  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：52/0  |  提交时间：2020/12/10 Distributed algorithms  hybrid density-functional calculations  HONPAS package  electron repulsion integrals  parallel implementation
	802.16 Mesh模式下提供QoS保障的调度算法 期刊论文 计算机工程与应用, 2011, 卷号: 47.0, 期号: 033, 页码: 88 作者:  杨春德;  丁亚南;  张晶;  周俊;  胡金龙 收藏  |  浏览/下载：13/0  |  提交时间：2023/12/04 无线Mesh网络  服务质量（QoS）  分布式调度