Abstract: This paper interprets the application of molecular dynamics (MD) simulations to the viscoelastic mechanical behavior of metallic glasses from a pedagogical point of view. The use of MD simulations to analyze the microstructure of metallic glass from the atomic scale provides a new perspective for a deeper understanding of the viscoelastic behavior of metallic glass. Creep, stress relaxation, and dynamic hysteresis are typical features of viscoelastic materials, which can be classified as relaxation behavior in metallic glasses, i.e., the process in which a sub-stable atomic configuration jumps to the steady state or another sub-stable state under the stimulation of external force. In this paper, the viscoelastic cases of these three classes are investigated with the help of MD simulations in a typical CuZr metallic glass, so that students can better understand the microscopic behavioral characteristics of viscoelastic mechanics of metallic glasses and improve their understanding and mastery of knowledge in this field.