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SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms 期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2022, 卷号: 40, 期号: 1, 页码: 160-168
作者:  Huang YP;  Xia YJ;  Yang LJ;  Wei JC(韦佳辰);  Yang YI
收藏  |  浏览/下载:45/0  |  提交时间:2022/01/13
Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 12
作者:  Wang, Haiyan;  Gao, Xueyun;  Chen, Shuming;  Li, Yiming;  Wu, Zhongwang
收藏  |  浏览/下载:25/0  |  提交时间:2021/02/02
Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 12
作者:  Wang, Haiyan;  Gao, Xueyun;  Chen, Shuming;  Li, Yiming;  Wu, Zhongwang
收藏  |  浏览/下载:25/0  |  提交时间:2021/02/02
Microstructural Stability and Softening Resistance of a Novel Hot-Work Die Steel 期刊论文
CRYSTALS, 2020, 卷号: 10, 期号: 4, 页码: 16
作者:  Du, Ningyu;  Liu, Hongwei;  Fu, Paixian;  Liu, Hanghang;  Sun, Chen
收藏  |  浏览/下载:13/0  |  提交时间:2021/02/02
Microstructural Stability and Softening Resistance of a Novel Hot-Work Die Steel 期刊论文
CRYSTALS, 2020, 卷号: 10, 期号: 4, 页码: 16
作者:  Du, Ningyu;  Liu, Hongwei;  Fu, Paixian;  Liu, Hanghang;  Sun, Chen
收藏  |  浏览/下载:10/0  |  提交时间:2021/02/02
Exploring the Ligand Binding/Unbinding Pathway by Selectively Enhanced Sampling of Ligand in a Protein-Ligand Complex 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 38, 页码: 7974-7983
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载:2/0  |  提交时间:2020/07/01
Influence of on-line tempering parameters on microstructure of medium-carbon steel 期刊论文
JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL, 2017, 卷号: 24, 页码: 59-66
作者:  Zhang, Hua[1];  Wu, Yan-xin[2];  Fu, Jian-xun[3];  Xu, Jie[4];  Zhai, Qi-jie[5]
收藏  |  浏览/下载:3/0  |  提交时间:2019/04/24
From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events 期刊论文
ACCOUNTS OF CHEMICAL RESEARCH, 2015, 卷号: 48, 期号: 4, 页码: 947-955
作者:  Yang, Lijiang;  Liu, Cheng-Wen;  Shao, Qiang;  Zhang, Jun;  Gao, Yi Qin
收藏  |  浏览/下载:13/0  |  提交时间:2019/01/08
From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events 期刊论文
ACCOUNTS OF CHEMICAL RESEARCH, 2015
Yang, Lijiang; Liu, Cheng-Wen; Shao, Qiang; Zhang, Jun; Gao, Yi Qin
收藏  |  浏览/下载:5/0  |  提交时间:2017/12/03
Ab initio molecular dynamics with enhanced sampling for surface reaction kinetics at finite temperatures: CH2 reversible arrow CH + H on Ni(111) as a case study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015
Sun, Geng; Jiang, Hong
收藏  |  浏览/下载:8/0  |  提交时间:2017/12/03


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