Ionic diffusion of lithium cation and TFSI

You can obtain force field parameters for Li TFSI (and many ionic liquids) at
and a builder at It is usual practice to work with ionic charges of +/- 0.8 if you want dynamics to be closer to experiment, although this may worsen density and structural properties. Full ionic charges give too slow dynamics. Polarizable force fields are under development. Check: Agilio On 25/02/2020 13:11, wrote:

Thanks sir Agilio