Cluster: Computational Chemistry

Computational Chemistry is a branch of chemistry using software to simulate and attempt to solve issues faced by the chemistry industry. It uses a combination of theoretical chemistry and simulation to help determine the structures and properties of molecules. Computational chemists integrate mathematical algorithms, statistics, databases, and experimental observations to develop chemical simulations and modelling computations. Examples of the applications of computational chemistry include: identifying the drug binding sites of drugs, creation of how kinetics and thermodynamics effects chemical synthesis reactions, and the scientific exploration of physical processes (superconductivity, energy storage, corrosion, or phase changes) of molecules during chemical reactions.