Green roofs are consistently being used to reduce some of the negative environmental impacts of cities. The increasing interest in extensive green roofs requires refined studies on their design and operation, and on the effects of their relevant parameters on green roof thermal performance. The effects of two design parameters, substrate thickness (ST) and conductivity of dry soil (CDS), and four operating parameters, leaf area index (LAI), leaf reflectivity (LR), stomatal resistance (SR), and moisture content (MC), were investigated using the green roof computer model developed by Sailor in 2008. The computer simulations showed that among the operating parameters, LAI has the largest effects on thermal performance while CDS is a more influential design parameter than ST. Experimental investigations of non-vegetated and sparsely vegetated green roofs in Melbourne were principally used to understand the effect of the substrate and enable better understanding of dominant heat transfer mechanisms involved. Investigated green roofs had three substrate thicknesses (100, 150 and 200 mm), and their performance was compared to a bare conventional roof. In contrast to the computer simulations, the experimental results for summer and winter showed the importance of MC and ST in reducing the substrate temperature and heat flux through the green roof.