The possibility in principle of using a collisional thermostat (virtual medium) in molecular dynamics calculations for calibrating real liquid media and calculating the diffusion coefficients of low-molecular-weight substances was established. The parameters of the thermostat corresponding to aqueous and hydrocarbon media were determined. The diffusion coefficients of various substances calculated from the autocorrelation function of the velocity of the center of mass of molecules placed into a medium calibrated with respect to one of the substances at a given temperature were close to their experimental values.The Method of Calibrated Medium for Molecular Dynamics Calculations of the Diffusion Coefficients of Low-Molecular-Weight Compounds. Shaitan, K.V., Saraikin, S.S.: Russian Journal of Physical Chemistry A, 2002, 76[6], 987-92