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29-Billion Atoms Molecular Dynamics Simulation With Ab Initio Accuracy on 35 Million Cores of New Sunway Supercomputer 期刊论文
IEEE TRANSACTIONS ON COMPUTERS, 2025, 卷号: 74, 期号: 5, 页码: 1634-1648
作者:  Wang, Xun;  Meng, Xiangyu;  Guo, Zhuoqiang;  Li, Mingzhen;  Liu, Lijun;  Li, Mingfan;  Xiao, Qian;  Zhao, Tong;  Sun, Ninghui;  Tan, Guangming;  Jia, Weile
收藏  |  浏览/下载:15/0  |  提交时间:2025/06/25
Atoms  Accuracy  Supercomputers  Optimization  Artificial neural networks  Force  Training  Fitting  Predictive models  Nuclear power generation  High Performance Computing  Molecular Dynamics  DeePMD  Parallel Optimization  New Sunway Supercomputer  
Prediction of protein interaction hot spots using rough set-based multiple criteria linear programming 期刊论文
JOURNAL OF THEORETICAL BIOLOGY, 2011, 卷号: 269, 期号: 1, 页码: 174-180
作者:  Chen, Ruoying;  Zhang, Zhiwang;  Wu, Di;  Zhang, Peng;  Zhang, Xinyang;  Wang, Yong;  Shi, Yong
收藏  |  浏览/下载:93/0  |  提交时间:2019/12/16
Binding free energy  Alanine mutation  Residue's features  Combined model  Predictive performance