Category:Theoretical and Computational Chemistry

Theoretical and Computational Chemistry is a branch of chemistry that uses mathematical and computational methods to understand and predict chemical behavior and reactions. This field combines principles from physics, mathematics, and computer science to study molecular and chemical systems at a molecular level.

The goal of Theoretical and Computational Chemistry is to develop and use computer models to simulate the behavior of chemical systems and predict chemical properties, such as reactivity, stability, and spectra. This field also provides a way to study chemical reactions and processes that are difficult or impossible to observe experimentally.

Research in this field includes the development of new computational methods and algorithms, the study of molecular structure and reactivity, quantum chemistry, and the simulation of chemical processes such as chemical reactions, spectra, and thermodynamics. The findings from Theoretical and Computational Chemistry have broad applications in areas such as drug design, materials science, and the development of new technologies.