Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms

Published in PPoPP, 2022

Recommended citation: Zhuoqiang Guo, Denghui Lu, Yujin Yan, Siyu Hu, Rongrong Liu, Guangming Tan, Ninghui Sun, Wanrun Jiang, Lijun Liu, Yixiao Chen, Linfeng Zhang, Mohan Chen, Han Wang, Weile Jia. "Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms." ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP), 2022