The Center for Computational Chemistry (CCC) under the College of Science, Engineering, and Technology (CSET) at Jackson State University (JSU) strives to foster cutting-edge research in the field of computational sciences and informatics at the global scale and provides a competitive environment to the fellow members of CSET including faculty, postdoctoral researchers, graduate and undergraduate students through innovative research, teaching, and collaboration. The research groups at JSU’s CCC develop and apply state-of-the-art computational and analytical techniques to solve intricate problems of societal importance and to decipher the mysteries at the interface with environmental science, energy science, materials science, catalysis, and biochemistry.