Summary: An optimization approach, based on computational fluid dynamics methodology, is investigated for the performance prediction and optimization of liquid rocket engine nozzle. The CFD code employs implicit Lower-Upper decomposition (LU) scheme for solving the two-dimensional axisymmetric Navier-Stokes (NS) equations and species transport equations in an efficient manner. The validity of the code is demonstrated by comparing the numerical calculations with both the experimental data and previous calculations. Then the code, called by three optimization algorithms (i.e. successive quadratic programming method, genetic algorithm and interdigitation strategy) respectively, is used to design axisymmetric optimum-thrust nozzle. Results show that improvement on nozzle thrust can be obtained over that of the baseline case.