Professor Iyengar received an intergrated M.Sc. Degree in Chemistry from the Indian Institute of Technology, Bombay, India; a M.S. in Chemistry from the University of Florida, Gainesville, FL; and a Ph.D. from the University of Houston, Houston, TX under the auspices of Professor Donald J. Kouri.
He joined the Indiana University in Fall 2003 after assuming two post-doctoral positions, one under the direction of Professor Gustavo E. Scuseria at Rice University, Houston, TX and the second under the supervision of Professor Gregory A. Voth at the Henry Eyring Center for Theoretical Chemistry, University of Utah, Salt Lake City, UT.
Research efforts in the Iyengar group are on the interface of chemistry, computational physics and applied mathematics. They deal with the development of new theoretical methods and the subsequent implementation of these into efficient computational models. The methods are derived with an aim to help solve problems in biophysical chemistry, atmospheric chemistry and the area of nano-material science.
Specifically, current research efforts are directed towards the fundamental understanding of hydrogen bonded and hydrogen transfer systems, and the detailed study of electron transport in molecular wire systems. To study these problems the Iyengar group has developed a new computational methodology called quantum wavepacket ab initio molecular dynamics (QWAIMD) that allows the simultaneous dynamical treatment of electrons and nuclei. This method is currently being developed further and applied to forefront problems such as those highlighted above.