Recently, groundwater resources have been subjected to negative impacts from various natural and anthropogenic factors worldwide. Hence, great efforts have been conducted in the literature to find the best management strategies for protection against groundwater quantity shortage and aquifer material contamination. Simulation-optimization (S-O) modeling has been considered one of the most feasible options for groundwater management, providing high accuracy in understanding the complex real-world water issues. This review study aims at clarifying the concepts, techniques, and stepwise methodologies of both simulation models and optimization algorithms, in addition to the applications of the integrated S-O approach in solving groundwater problems. Besides, the linkages between applications of the S-O framework and sustainable development goals (SDGs) from quantity and quality perspectives are illustrated to show the expected beneficial outcomes for various socio-economic and environmental issues in different fields. Based on this review, conclusions are drawn that may be useful for future studies related to groundwater conservation, management, and planning.