Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers.
Zhikun WuYangjun WuYing LiuHonghui ShangYingxiang GaoZhongcheng ZhangYuyang ZhangYingchi LongXiaobing FengHuimin CuiPublished in: SC (2023)
Keyphrases
- high performance computing
- scientific computing
- massively parallel
- lightweight
- parallel computing
- computing resources
- fault tolerance
- computing systems
- quantum inspired
- electric field
- grid computing
- numerical simulations
- electron microscopy
- parallel architectures
- electron beam
- formal methods
- computing environments
- commodity hardware
- simulation model
- electrical properties
- perturbation method
- electron microscope