Efficient simulations of mobility matrices for electrolytes by applying forces.

Ion drift velocities in response to electric fields are a critical attribute of battery electrolytes. Accurately predicting species mobilities in such systems is an important challenge for atomistic simulations. In this work, we investigate two organic liquid electrolytes: LiPF dissolved in (a) dimethyl carbonate (DMC) and (b) a mixture of DMC and ethylene carbonate (EC).