Computational Chemistry is a branch of chemistry that uses computer simulations to study and predict the behavior of molecules and chemical reactions. By applying mathematical models and algorithms, scientists can analyze molecular structures, energies, and interactions without needing to conduct physical experiments. This field combines principles from quantum mechanics, thermodynamics, and molecular dynamics to provide insights into chemical processes. It is widely used in drug design, materials science, and understanding complex biological systems, helping researchers save time and resources while gaining a deeper understanding of chemical phenomena.