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HierCut: Enabling 16-bit Format Mixed Precision for Molecular Dynamics through Hierarchical Cutoff

Zeyu Song, Lin Gan, Xiaohui Duan, Zhengrui Li, Jiayu Fu, Yinuo Wang, Guangzhao Li, Guangwen Yang

Mixed-precision methods offer the potential to achieve better performance while maintaining accuracy comparable to that of high-precision formats. However, the adoption of mixed precision—particularly with 16-bit formats—in scientific computing remains limited due to precision tr…