High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers.
Xinming QinJunshi ChenZhaolong LuoLingyun WanJielan LiShizhe JiaoZhenlin ZhangQingcai JiangWei HuHong AnJinlong YangPublished in: CCF Trans. High Perform. Comput. (2023)
Keyphrases
- high performance computing
- scientific computing
- massively parallel
- computational science
- parallel computing
- computing systems
- fault tolerance
- computing resources
- message passing interface
- national laboratory
- computing environments
- grid computing
- formal methods
- energy efficiency
- computing infrastructure
- artificial intelligence