The risks and uncertainties related to the storage of high-level radioactive waste (HLRW) can be reduced thanks to focused studies and investigations. HLRWs are going to be placed in deep geological repositories, enveloped in an engineered bentonite barrier, whose physical conditions are subjected to change throughout the lifespan of the infrastructure. Seismic tomography can be employed to monitor its physical state and integrity. The design of the seismic monitoring system can be optimized via conducting and analyzing numerical simulations of wave propagation in representative repository geometry. However, the quality of the numerical results relies on their initial calibration. The main aim of this paper is to provide a workflow to calibrate numerical tools employing laboratory ultrasonic datasets. The finite difference code SOFI2D was employed to model ultrasonic waves propagating through a laboratory sample. Specifically, the input velocity model was calibrated to achieve a best match between experimental and numerical ultrasonic traces. Likely due to the imperfections of the contact surfaces, the resultant velocities of P- and S-wave propagation tend to be noticeably lower than those a priori assigned. Then, the calibrated model was employed to estimate the attenuation in a montmorillonite sample. The obtained low quality factors (Q) suggest that pronounced inelastic behavior of the clay has to be taken into account in geophysical modeling and analysis. Consequently, this contribution should be considered as a first step towards the creation of a numerical tool to evaluate wave propagation in nuclear waste repositories.