Table 2 Diffusion coefficients for \(\hbox {EMIM}^{+}\) with the different force fields. The coefficients were computed by fitting the MSDs from Fig. 4 between 10 and 90 ps.

From: Addressing pathological deficiencies in the simulation of complex charged fluids using neural network force fields

Force Field

[EMIM][TFSI] / \(10^{-11}\hbox {m}^2\) \(\hbox {s}^{-1}\)

[EMIM][BF4] / \(10^{-11}\hbox {m}^2\) \(\hbox {s}^{-1}\)

NeuralIL

9.21(24)

10.81(54)

OPLS-AA

0.624(47)

1.60(22)

CL&Pol

9.9(1.2)

4.40(91)

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