[lammps-users] ReaxFF.Modelling magnesium and hydrogen

Dear LAMMPS users

I’d like to ask about the possibility to model magnesium using ReaxFF realization built in LAMMPS. Is it possible to simulate Mg and H interactions just by adding parameters in ffield.reax file somehow or I have to modify the reax library also?

you could just add params to ffield.reax - however knowing what
those params should be is non-trivial

Steve