Why molecular dynamics?
A structural model of atoms and molecules is not the end of the story in scientific research. We want to learn how molecules behave and function. What we define as a phenomenon at the molecular level is in fact a process of atoms moving and exchanging bonding partners. Hence, the information about how atoms change with respect to time would be critical to understand how stuff works at molecular level. This is where molecular dynamics comes into play — to simulate the time evolution of molecules under interactions.
