Sustainability as a concept is present in most aspects of our everyday life, and industry is no exception. Likewise, there is no doubt that the necessity to produce goods in a sustainable way and to ensure that products are sustainable is gaining more and more attention from producers, customers, governments, and various organizations. Understandably, there are several ways to increase the sustainable development of industrial production. One effective tool is simulation, which can have a significant impact on improving environmental, economic, and social sustainability. This paper explores the role of simulation as a powerful scientific and engineering solution in advancing sustainability within industrial ecosystems. Its main scope is to map the existing literature on the usage of simulation as a supportive tool for achieving this goal. For this purpose, a bibliometric analysis was conducted, allowing for tailored insights into the use of simulation in sustainable production.