As the world confronts the pressing demand for sustainable development, the significance of engineering simulations in creating environmentally conscious products and systems has gained momentum. This paper delves into the intricate interplay between computational simulations and sustainability and examines some case studies in the discipline. It promotes computational simulations as valuable tools for reducing environmental damage by enabling optimized designs, reducing material waste, improving energy efficiency, and making predictions for ecological, societal, and economic challenges. Through an analysis of literature and case studies, the article clarifies how simulation methodologies can support a more sustainable world. The financial ramifications of sustainable computational simulations are also explored in the article. Simulation technologies for sustainability promote environmental management and offer long-term economic benefits by minimizing resource consumption and optimizing operational efficiency. Decision-makers can drive transformative change toward a more sustainable future by utilizing the latest simulation technologies and proactively committing to environmental management. This study adds to the expanding knowledge base that strives to harmonize computational tools with worldwide sustainability objectives and highlights the necessity for uninterrupted innovation and cooperation within this domain. Case studies revealed that designing and optimizing sources with engineering simulations in industries from aerospace to agriculture is possible. Simulations can help reduce materials usage in manufacturing while they can help support biodiversity in rural areas and oceans. In aerospace, Finite Element Method has been used to reduce material waste during aircraft component manufacturing, significantly improving resource efficiency. In the same line, improvements in Computational Fluid Dynamics have resulted in sustainable manufacturing processes with less power used by optimizing airflow and thermal management systems. In materials discovery, Molecular Dynamics has assisted in the creation of eco-friendly plastics which has reduced the time taken in development processes and improved the ecology of the materials. Furthermore, tools powered by artificial intelligence have greatly influenced the fields of agriculture, where they have helped utilize water and fertilizers efficiently by means of forecasting, leading to less resource use. These examples show the importance of engineering simulations not only in improving operational productivity but also causing an effect on the environment. The paper ends with future prospects in the use of computational tools for the achievement of sustainability in different sectors.