computational chemistry
Noun
Meaning
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
Synonyms
Examples
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.
Computational chemistry has featured in several Nobel Prize awards, most notably in 1998 and 2013.