Computational chemistry is a branch of chemical science that uses mathematical methods and physical concepts to justify and interpret the phenomena of chemistry. The main goal in this field is to obtain optimal structures, properties of physical chemistry and reactivity of chemical compounds using theoretical methods. Calculations with initial methods and methods based on experimental laboratory information. Computations in this field of science can be done with the help of computers. This field is widely used in all branches of chemistry, biochemistry and pharmacy.
Computational Methods So far, many computational methods for solving chemical problems have been developed. These methods use the laws of quantum mechanics, classical mechanics, or a combination of these to solve problems. Choosing the right method for performing calculations depends on the type and size of the structure being studied, as well as the type of information required.