In this Letter, classical molecular dynamics is used to deal with optimizat
ion problems occurring in intensity modulated radiation therapy. By introdu
cing the concepts of virtual atom and virtual cluster, the optimization pro
cess in this kind of therapy can be considered as an analogy to finding the
equilibrium configuration of a cluster. This viewpoint gives great insight
into the optimization problems. To show how the idea works, a dose-based o
bjective function is adopted to obtain the optimized intensity profiles. Th
e results and high computational efficiency show that molecular dynamics is
applicable clinically for this therapy. The idea presented here also could
be inspiring to other fields where optimization problems exist.