Noun
English Wikipedia has an article on:computational chemistryWikipedia
computational chemistry (uncountable)
(mathematics, chemistry) The use of computation to predict the structure, properties and reactions of molecules
Computational chemistry has two different aspects: * Computational studies, used to find a starting point for a laboratory synthesis, or to assist in understanding experimental data, such as the position and source of spectroscopic peaks. Source: Internet
Computational chemistry has featured in several Nobel Prize awards, most notably in 1998 and 2013. Source: Internet