The autotrophic forms of microalgae are referred to as "efficient biological factories", because they play a significant role in CO 2 removal from the atmosphere by utilizing it for the process of photosynthesis. The industrial application of microalgae biomass includes the production of cosmetics, health products, fertilisers, biofuel, feeds, and food. Microalgae biomass is also an important tool used in the treatment of wastewater. The current review is aimed at reviewing the progress and prospects of microalgae resource modelling and optimisation as a tool for sustainable biotechnology. The mechanism of biomass production by microalgae tends to vary according to whether the microalgae are autotrophic, heterotrophic, or mixotrophic organisms. In the current study, the modelling and optimisation of microalgae biomass production were discussed, as well as the modelling of CO 2 sequestration, light intensity, nutrients, and photobioreactor. The role of microalgal biomass production in attaining sustainable biotechnology has also been extensively studied. Microalgae are an emerging tool used in the phycoremediation of wastewater and reduction of high CO 2 level. The modelling and optimisation of microalgae biomass production will help to upscale the production of the microalgal based fuel and bioproducts from model scale to the money-making level.