Hi lammps-user,

does anybody know where i can find the reaxff CuCl-H2O.ff: (Cu/Cl/H/O)

O.Rahaman, A.C.T. van Duin, V.S. Bryantsev, J.E. Mueller, S.D. Solares, W.A. Goddard III, and D.J. Doren Development of a ReaxFF Reactive Force Field for Aqueous Chloride and Copper Chloride J. Phys. Chem. A 114 (2010), 3556-3568

Is it possible to download ?


Please check out adri van duin’s group homepage.


They are in the appendix of the paper you cite.

Jim Kress