Neural network correction for heats of formation with a larger experimental training set and new descriptors

Chemical Physics Letters

Volumn 410, Issue 1-3, 2005, Pages 125-130

  Duan, Xue Mei ^a   Li, Zhen Hua ^a,b   Song, Guo Liang ^a   Wang, Wen Ning ^a,b   Chen, Guan Hua ^a,b,c   Fan, Kang Nian ^a,b  

^a FUDAN UNIVERSITY   (China)

^b INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^c UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTATIONAL GEOMETRY; COMPUTATIONAL METHODS; ERROR CORRECTION; HEAT TRANSFER; LARGE SCALE SYSTEMS; MOLECULES; OPTIMIZATION; SET THEORY;

DENSITY-FUNCTIONAL THEORY (DFT); HYBRID METHODS; INORGANIC MOLECULES; NEW DESCRIPTORS;

NEURAL NETWORKS;

EID: 20444489624     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.05.046     Document Type: Article

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