As per available reports about journals, 20 Conferences, 23 workshops are presently dedicated exclusively to Computational chemistry and about 13760 articles are being published on the current trends in Computational chemistry. In terms of research annually, USA, India, Japan, Britain, Brazil and Canada are some of the leading countries where maximum studies related to Computational chemistry are being carried out. Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids.