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Charge-optimized many-body COMB

T. Liang, T. Shan, Y. Cheng, B.D. Devine, M. Noordhoek, Y. Li, Z. Lu, S.R. Phillpot, S.B. Sinnott, Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials. Mater. Sd. Eng. R Rep. 74,255-279 (2013)... [Pg.179]

The last two chapters present details of two classical potentials that incorporate charge transfer. Adri van Duin and co-workers present the details of the ReaxFF potential and discuss several applications. Susan Sinnott and coworkers from the University of Florida present the charge optimized many body (COMB) potentials and its application to molecules and metals on oxide surfaces. [Pg.6]

See other pages where Charge-optimized many-body COMB is mentioned: [Pg.92]    [Pg.202]    [Pg.256]    [Pg.92]    [Pg.202]    [Pg.256]   
See also in sourсe #XX -- [ Pg.246 ]



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