The technological advancements in various fields such as alternative energy sources to fossil fuels, defense industry needs, health, textiles, catalysis, and many others have exponentially increased humanity's demand for materials science. However, the conventional method of trial and error or prediction for designing optimal materials needed for our requirements is a time-consuming and costly process. Instead, computational materials science, which has made significant progress in the last few decades, has become a crucial alternative in terms of both cost and time. Meaningful computational materials science studies are inconceivable without High-Performance Computing (HPC) resources, making Turkey's participation in the EuroHPC ecosystem crucial from this perspective as well. In this webinar, computational materials science will be outlined in general, and examples from the speaker's team's work will be provided. The methods used in this field will be classified based on the sizes of the systems and the sensitivity of the obtained data.