The Computational Chemistry Group @ Central University of Gujarat (CCG@CUG) was established in 2012 under the nice shadow of Dr. Prakash Chandra Jha. The group has produced quality scholars who posses experience and expertise in line with the programmes offered. The group encircles experienced professors and juvenile researchers equipped with latest techniques and technologies to apprehend the aspirations of CCG@CUG in transforming research for sustainable tomorrow. The hallmark of the group is workaholic nature and egalitarian belief. We represent a research group that carries out theoretical based research of chemical, physical and biological systems.