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

doi:10.1145/3774934.3786433

PPoPP2026Top-tier venue

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

DOI Publisher

2026Year

Abstract

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 truncation.

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