Abstract: Parameterization of computational domain is a key step in isogeometric analysis as mesh generation in finite element analysis. In this paper, we study the volume parameterization problem of multi-block computational domain in isogeometric version, i.e, how to generate analysis-suitable parameterization of the multi-block computational domain bounded by B-spline surfaces. Firstly, we show how to find good volume parameterization of single-block computational domain by solving a constraint optimization problem, in which the constraint condition is the injectivity sufficient conditions of B-spline volume parametrization, and the optimization term is the minimization of quadratic energy functions related to the first and second derivatives of B-spline volume parameterization. By using this method, the resulted volume parameterization has no self-intersections, and the isoparametric structure has good uniformity and orthogonality. Then we extend this method to the multi-block case, in which the continuity condition between the neighbor B-spline volume should be added to the constraint term. The effectiveness of the proposed method are illustrated by several examples based on three-dimensional heat conduction problem.