👉 Compounds computing, also known as computational chemistry or quantum chemistry, is a branch of science that uses computational methods to study the properties and behavior of molecules. It involves solving complex mathematical equations, often based on quantum mechanics, to predict and understand chemical reactions, molecular structures, and physical properties. These calculations can simulate how molecules interact with each other and their environment, providing insights into reaction mechanisms, energy changes, and the stability of different molecular configurations. By leveraging high-performance computing resources, researchers can model systems ranging from small organic molecules to large biomolecules and materials, aiding in drug discovery, material science, and environmental studies. This computational approach complements experimental methods, offering a deeper understanding of chemical phenomena at the atomic and molecular level.