Development, applications and challenges of ReaxFF reactive force field in molecular simulations

Frontiers of Chemical Science and Engineering

Volumn 10, Issue 1, 2016, Pages 16-38

  Han, You ^a   Jiang, Dandan ^a   Zhang, Jinli ^a   Li, Wei ^a   Gan, Zhongxue ^b   Gu, Junjie ^c  

^a TIANJIN UNIVERSITY   (China)

^b Deutsches Kunststoff Institut   (Germany)

^c CARLETON UNIVERSITY   (Canada)

Author keywords

catalyst; fuel cell; interfacial interaction; nanomaterials; reaction mechanism; ReaxFF

Indexed keywords

EID: 84959547780     PISSN: 20950179     EISSN: 20950187     Source Type: Journal    
DOI: 10.1007/s11705-015-1545-z     Document Type: Review

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