10-Million Atoms Simulation of First-Principle Package LS3DF

Yujin Yan, Hai-Bo Li, Tong Zhao, Lin-Wang Wang, Lin Shi, Tao Liu, Guangming Tan, Weile Jia, Ninghui Sun. 10-Million Atoms Simulation of First-Principle Package LS3DF. J. Comput. Sci. Technol., 39(2):45-62, March 2024. [doi]

Abstract

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