2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT

Wei HuHong AnZhuoqiang GuoQingcai JiangXinming QinJunshi ChenWeile JiaChao Yangk

计算物理与量子化学方向论文：2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Me

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内容导读Reading note

分类与摘要Category & abstract

服务于 DFT、电子动力学等计算物理/化学问题，强调更大尺度模拟能力。

Metadata

完整论文信息Full record

title: 2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT
title_zh: 待补充
abstract: 待补充
abstract_zh: 待补充
keywords: DFT, 学位认定 A, CCF A
year: 2022
published_date: 待补充
online_date: 待补充
paper_type: Conference
publication_status: Published
volume: 待补充
issue: 待补充
pages: 待补充
article_number: 待补充
publisher: 待补充
doi: 10.1109/sc41404.2022.00010
research_area: 计算物理与量子化学
tags: DFT, 学位认定 A, CCF A
category: 计算物理与量子化学
summary: 服务于 DFT、电子动力学等计算物理/化学问题，强调更大尺度模拟能力。
authors: Wei Hu, Hong An, Zhuoqiang Guo, Qingcai Jiang, Xinming Qin, Junshi Chen, Weile Jia, Chao Yangk
corresponding_authors: 待补充
affiliations: 待补充
funding: 待补充

Research area

计算物理与量子化学

Citation

Wei Hu, Hong An∗, Zhuoqiang Guo, Qingcai Jiang , Xinming Qin , Junshi Chen, Weile Jia*, Chao Yangk , Zhaolong Luo, Jielan Li, Wentiao Wu, Guangming Tan, Dongning Jia, Qinglin Lu, Fangfang Liu, Min Tian, Fang Li, Yeqi Huang , Liyi Wang, Sha Liu and Jinlong Yang∗，2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT，In the Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis（SC22），Dallas US, November 13–18, 2022 (CCF A，2022年Gordon Bell奖提名）

BibTeX

@article{acsa2022_59,
  title = {2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT},
  year = {2022},
  doi = {10.1109/sc41404.2022.00010}
}