2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT. - Wei Hu 006; Hong An; Zhuoqiang Guo; Qingcai Jiang; Xinming Qin; Junshi Chen; Weile Jia; Chao Yang 001; Zhaolong Luo; Jielan Li; Wentiao Wu; Guangming Tan; et al. (SC, 2022)