Computational chemistry

Abstract

The use of computational methods in the study of chemistry touches upon every area of chemical inquiry. Indeed, the art and the science of computation are a natural fit with the study of chemistry. From the earliest times, beginning even with alchemy, chemists have used models to render comprehensible the abstract theories and concepts of their field. It is only logical, therefore, that chemists would use the power of modern computational methods to extend and explore their understanding of chemical compounds and processes.