Professor Mak studies and develops theoretical methods to understand the role of quantum mechanics in chemical processes occurring in clusters, liquids and proteins. He carries out computer simulations to study these processes, providing accurate solutions to the quantum dynamics of these systems. In the last few years, his research has continually pushed the capabilities of path integral simulations to new frontiers. He is currently studying computerized alternatives to determine the tertiary structures of RNAs and proteins. His "RNA folding" research is aimed at developing novel computer algorithms that are capable of predicting the tertiary structures of RNAs from their primary sequences alone.