GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials

Ke Xu(Chinese University of Hong Kong), Pengfei Guan(Ningbo Institute of Industrial Technology), Yanlong Li(Qilu University of Technology), Eric Lindgren(Chalmers University of Technology), Alexander J. Gabourie(Deep Space Industries (United States)), Yong-Chao Wu(Beijing Institute of Technology), Ting Liang(Chinese University of Hong Kong), Shiyun Xiong(Guangdong University of Technology), Haikuan Dong(Bohai University), Zihan Yan(Westlake University), Jianbin Xu(Second Affiliated Hospital of Zhejiang University), Esmée Berger(Chalmers University of Technology), Keke Song(University of Science and Technology Beijing), Zherui Chen(Dalian Jiaotong University), Hongfu Huang(Beihang University), Zhixin Liang(Collaborative Innovation Center of Advanced Microstructures), Zhimei Sun(Beihang University), Jin‐Cheng Zheng(Xiamen University), Bohan Zhang(Bohai University), Penghua Ying(Tel Aviv University), Julia Wiktor(Chalmers University of Technology), Shunda Chen(George Washington University), Tapio Ala-Nissilä(Loughborough University), Chengbing Chen(Guilin University of Technology), Shuning Pan(Collaborative Innovation Center of Advanced Microstructures), Jiahui Liu(University of Science and Technology Beijing), Junjie Wang(Collaborative Innovation Center of Advanced Microstructures), Yong Wang(Collaborative Innovation Center of Advanced Microstructures), Yifan Li(Princeton University), Shuo Zhang(Shanghai University of Engineering Science), Yue Chen(Donghua University), Bin Xu(Ningbo Institute of Industrial Technology), Feng Ding(Chinese Academy of Sciences), Rui Zhao(Xinyu University), Yang Xiao(Bohai University), Nan Xu(Quzhou University), Shuo Cao(Qiqihar Medical University), Zezhu Zeng(University of Hong Kong), Cheng Qian, L.A. Svensson(Wallenberg Wood Science Center), Ning Wei(Jiangnan University), Jiuyang Shi(Collaborative Innovation Center of Advanced Microstructures), H. Bu(Wuhan University of Technology), Yuwen Zhang(Eastern Institute of Technology, Ningbo), Yanzhou Wang(Collaborative Innovation Center of Advanced Microstructures), Xin Wu(The University of Tokyo), Tobias Hainer(Chalmers University of Technology), Ari Harju
Materials Genome Engineering Advances
August 3, 2025
Cited by 68


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