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A review of machine learning in geochemistry and cosmochemistry: Method improvements and applications 期刊论文
APPLIED GEOCHEMISTRY, 2022, 卷号: 140, 页码: 13./通讯作者:He, Yuyang
Authors:  He YY(何雨旸);  Zhou, You;  Wen, Tao;  Zhang, Shuang;  Huang, Fang;  Zou, Xinyu;  Ma, Xiaogang;  Zhu, Yueqin
Adobe PDF(1705Kb)  |  Favorite  |  View/Download:475/184  |  Submit date:2022/07/18
LIBS  XAFS  Mapping  Water  soil prediction  Molecular machine learning  Reactive-transport modeling  
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./通讯作者:Gao, Yi Qin
Authors:  Huang YP;  Xia YJ;  Yang LJ;  Wei JC(韦佳辰);  Yang YI;  Gao YQ
Adobe PDF(1978Kb)  |  Favorite  |  View/Download:373/118  |  Submit date:2022/01/13
Molecular dynamics  Molecular modeling  Enhanced sampling  Machine learning  Computational chemistry  
Nanoscale friction behavior of the Ni-film/substrate system under scratching using MD simulation 期刊论文
TRIBOLOGY LETTERS, 2012, 卷号: 46, 期号: 2, 页码: 167-178
Authors:  Liu XM(刘小明);  Liu ZL;  Wei YG(魏悦广);  Liu, XM;  Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Adobe PDF(1710Kb)  |  Favorite  |  View/Download:985/343  |  Submit date:2013/01/18
Nanotribology  Friction  Reducing  Friction Mechanisms  Films  Dynamic Modeling  Molecular-dynamics Simulation  Randomly Rough Surfaces  Dislocation Nucleation  Atomistic Simulation  Contact Mechanics  Film Thickness  Thin-films  Nanoindentation  Deformation  Multilayers  
Silicon nanowire reinforced by single-walled carbon nanotube and its applications to anti-pulverization electrode in lithium ion battery 期刊论文
Composites Part B-Engineering, 2012, 卷号: 43, 期号: 1, 页码: 76-82
Authors:  Zang JL(臧金良);  Zhao YP(赵亚溥)
Adobe PDF(1323Kb)  |  Favorite  |  View/Download:1178/401  |  Submit date:2012/12/04
Molecular-dynamics  Simulations  Fracture  Modulus  Anodes  Gold  Nano-structures  Lithium Ion Battery  Fragmentation  Computational Modeling  
Advances in Experiments and Modeling in Micro- and Nano-Biomechanics: A Mini Review 期刊论文
Cellular and Molecular Bioengineering, 2011, 卷号: 4, 期号: 3, 页码: 327-339
Authors:  Long M(龙勉);  Sato M;  Lim CT;  Wu JH;  Adachi T;  Inoue Y;  Long, M (reprint author), Chinese Acad Sci, Key Lab Micrograv, Ctr Biomech & Bioengn, Inst Mech, Beijing 100190, Peoples R China
Adobe PDF(2481Kb)  |  Favorite  |  View/Download:1698/363  |  Submit date:2012/04/01
Cellular Mechanics  Molecular Biomechanics  Experimental Techniques  Theoretical Modeling  Computations  Fluid Shear-stress  Endothelial-cell Proliferation  Adhesive Dynamics Simulation  Ligand Binding-kinetics  Glycoprotein-ib-alpha  Von-willebrand-factor  Molecular-dynamics  Mechanical-stress  Beta-switch  2-dimensional Kinetics  
Molecular Modeling and Affinity Determination of scFv Antibody: Proper Linker Peptide Enhances Its Activity 期刊论文
Annals of Biomedical Engineering, 2010, 卷号: 38, 期号: 2, 页码: 537-549
Authors:  Gu X;  Jia XL(贾潇凌);  Feng JN;  Shen BF;  Huang Y;  Geng SS;  Sun YX;  Wang Y;  Li Y;  Long M(龙勉);  Long M(龙勉)
View  |  Adobe PDF(616Kb)  |  Favorite  |  View/Download:2072/704  |  Submit date:2009/12/31
Linker Peptide  Molecular Modeling  Micropipette Adhesion Frequency  Scatchard Analysis  Binding Affinity