Welcome to

Chemical Information Sciences Lab

Pondicherry University

Our group mainly concentrates on developing a generalized understanding of bonding in important classes of systems from all branches of chemistry, unraveling the evolution of extended structures from discrete molecular subsystems within that domain. Most often we analyze the nature of bonding of chemical systems that are difficult to rationalize using conventional approaches and predict novel molecules and solids with desired properties aided by the study of related systems known experimentally. We routinely do quantum mechanical computations, both qualitative and quantitative. Occasionally, we also devise and test new invariants and analytical tools when the need arises and eventually design algorithms and develop programs and/or databases where such programs are unavailable.

Musiri M. Balakrishnarajan was born in Tamil Nadu, India, in February 21, 1968. He completed his M.Sc degree at Bharathidasan University, Tamil Nadu, with a specialization in physical chemistry in 1990. His Ph.D. degree was awarded at the same university in 1997, where he undertook research with Prof. P. Venuvanalingam on designing symbol manipulation algorithms and developing programs using artificial intelligence based search engines for solving several #P complete problems in chemical graph theory. In 1998, he joined the group of Prof. Eluvathingal D. Jemmis, University of Hyderabad, where he was involved in the study of various interaction modes and its consequences in two- and three-dimensional aromatic systems such as boranes and aromatic hydrocarbons in both individual molecules and extended solids. After that, he joined the group of Prof. Roald Hoffmann, Cornell University, New York, to pursue his postdoctoral research further. His current research interests are focused on developing efficient computational tools and chemical models for understanding the impact of delocalization of electrons in condensed molecules and materials. Now he currently working as a Professor in Department of Chemistry, Pondicherry University.