Because there are some disadvantages of traditional algorithms in solving maximum clique problem—one of the NP complete problems,such as too many experimental steps,uneasiness to operate in vivo,and low cyclization efficiency,a 2D DNA(k-arm DNA molecule) structure was designed to solve the maximum clique problem.In order to reduce the time and steps required in resolving this problem,the method is that the 2D DNA molecular was designed as molecular tiles and the computation model was obtained by using the 3D DNA tiles to build the 3D DNA structure chart.This algorithm reduces the complexity of calculation for solving the maximum clique problem,and it is also a meaningful practice for DNA computing and DNA computer research.