DEMOCRITUS

Mean Square Displacement


Understanding the MSD

The Mean Square Displacement (MSD) is a powerful means of determining the average motion of molecules in a liquid, gas or solid. It is directly related to diffusion, which can be measured experimentally, and is easily calculated in an MD simulation. It is, for this reason, a very important link between modelling and the real world. In this experiment you will calculate the MSD and learn about diffusion.