The effect of waves on ice sheet is critical in the marginal ice zone (MIZ). Waves break large sea ice into small pieces and cause them to collide with each other. Simultaneously, the interaction between sea ice and waves attenuates these waves. In this study, a numerical research is conducted based on a computational fluid dynamics (CFD) method to investigate the response of single ice floe to wave action. The obtained results demonstrate that the sea ice has a violent six degree of freedom (6DoF) motion in waves. Ice floes with different sizes, thicknesses, and shapes exhibit different 6DoF motions under the action of waves. The heave and surge response amplitude operator (RAO) of the sea ice are related to wavelength. Furthermore, the overwash phenomenon can be observed in the simulation. The obtained results are compared with the model test in the towing tank based on artificial ice, and they agree well with test results.