Numerous concerns, including environmental impact and public health issues, drive the urgent need to replace nonrenewable fossil fuels with renewable energy sources, with biomass emerging as a viable alternative globally. In this comprehensive review, the urgent need to transition from nonrenewable fossil fuels to renewable energy sources is addressed, focusing on biomass as a global alternative. It examines the role of zirconium‐based catalysts in converting biomass into biofuels and hydrogen. Various biomass extraction methods based on the thermochemical processes (pyrolysis, gasification, hydrothermal liquefaction, hydrocracking, and steam reforming) are explored, including their merits and limitations. Additionally, the properties of zirconium‐based catalysts and their catalytic efficiency in biomass conversion are assessed, highlighting the factors influencing their performance. In this literature review, the promising potential of zirconium‐based catalysts in enhancing the sustainability and efficiency of global biofuel production from biomass is revealed. It underscores the critical role of biomass as a renewable energy source and highlights the significance of zirconium‐based catalysts in advancing sustainable biofuel production. It offers insights into addressing environmental concerns, promoting public health, and supporting the global transition toward renewable energy solutions.