Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers.

Zhikun Wu, Yangjun Wu, Ying Liu, Honghui Shang, Yingxiang Gao, Zhongcheng Zhang, Yuyang Zhang, Yingchi Long, Xiaobing Feng, Huimin Cui

Browse the full SC paper archive.