Force field for Li-ion batteries electrolytes based on ionic liquids

From: Mauro Sgroi (
Date: Thu Dec 17 2020 - 03:46:32 CST

Dear all,
my name is Mauro Sgroi and I'm working on a research project on
electrolytes for Li-ion batteries based on ionic liquids at Centro Ricerche
FIAT in Italy.
The goal is to calculate the self-diffusivities.
I'm trying to orient between different possibilities for the force field
but I cannot find the right potentials to treat the Li-ion.

Could you give me some advice for both nonpolarizable and polarizable
(Drude) parameters to be used?
Is there any tutorial targeting simulation of ILs?

Thanks a lot in advance and best regards,
Mauro Sgroi.

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