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Extending the limit of molecular dynamics with ab initio ac..:

, In: Proceedings of the 27th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming,
Guo, Zhuoqiang ; Lu, Denghui ; Yan, Yujin... - p. 205-218 , 2022
Link: https://dl.acm.org/doi/10.1145/3503221.3508425