Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms. - Zhuoqiang Guo; Denghui Lu; Yujin Yan; Siyu Hu; Rongrong Liu; Guangming Tan; Ninghui Sun; Wanrun Jiang; Lijun Liu; Yixiao Chen; Linfeng Zhang 002; Mohan Chen 002; et al. (PPoPP, 2022)

Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms. - Zhuoqiang Guo; Denghui Lu; Yujin Yan; Siyu Hu; Rongrong Liu; Guangming Tan; Ninghui Sun; Wanrun Jiang; Lijun Liu; Yixiao Chen; Linfeng Zhang 002; Mohan Chen 002; et al. (CoRR, 2022)

DPA-1: Pretraining of Attention-based Deep Potential Model for Molecular Simulation. - Duo Zhang; Hangrui Bi; Fu-Zhi Dai; Wanrun Jiang; Linfeng Zhang 002; Han Wang 006 (CoRR, 2022)