Fast and accurate modeling of molecular energies with machine learning

被引:0
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作者
Rupp, Matthias [2 ]
Tkatchenko, Alexandre [3 ]
Mueller, Klaus-Robert [2 ]
von Lilienfeld, O. Anatole [1 ]
机构
[1] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA
[2] Tech Univ Berlin, Dept Software Engn & Comp Sci, Berlin, Germany
[3] Fritz Haber Inst, Dept Theory, Berlin, Germany
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
482-COMP
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页数:1
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