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

Wei Hu, Hong An, Zhuoqiang Guo, Qingcai Jiang, Xinming Qin, Junshi Chen, Weile Jia, Chao Yang, Zhaolong Luo, Jielan Li, Wentiao Wu, Guangming Tan, Dongning Jia, Qinglin Lu, Fangfang Liu, Min Tian, Fang Li, Yeqi Huang, Liyi Wang, Sha Liu, Jinlong Yang. 2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT. In SC22: International Conference for High Performance Computing, Networking, Storage and Analysis, Dallas, TX, USA, November 13-18, 2022. pages 1-13, IEEE, 2022. [doi]

@inproceedings{HuAGJQCJYLLWTJLLTLHWLY22,
  title = {2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT},
  author = {Wei Hu and Hong An and Zhuoqiang Guo and Qingcai Jiang and Xinming Qin and Junshi Chen and Weile Jia and Chao Yang and Zhaolong Luo and Jielan Li and Wentiao Wu and Guangming Tan and Dongning Jia and Qinglin Lu and Fangfang Liu and Min Tian and Fang Li and Yeqi Huang and Liyi Wang and Sha Liu and Jinlong Yang},
  year = {2022},
  doi = {10.1109/SC41404.2022.00010},
  url = {https://doi.org/10.1109/SC41404.2022.00010},
  researchr = {https://researchr.org/publication/HuAGJQCJYLLWTJLLTLHWLY22},
  cites = {0},
  citedby = {0},
  pages = {1-13},
  booktitle = {SC22: International Conference for High Performance Computing, Networking, Storage and Analysis, Dallas, TX, USA, November 13-18, 2022},
  publisher = {IEEE},
  isbn = {978-1-6654-5444-5},
}