CENTER FOR COMPUTATIONAL CHEMISTRY
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.
The Center focuses on multi-scale high-performance computing to explore the fundamental physics and properties of materials and span a myriad of disciplines in tandem with surface chemistry, reaction path analysis, excited state chemistry, electrochemical transport properties, microstructural evolution, QSPR modeling of solar cells and nanocomposites, artificial intelligence, and molecular dynamics simulations of macromolecular assemblies. Research groups are integrated with the Department of Chemistry, Physics and Atmospheric Sciences (CPAS) and other departments or centers, including the NSF CREST Interdisciplinary Center for Nanotoxicity (ICN), to provide an opportunity for broader outreach associated with the proposed activities.