We are a computational group in the Chemistry Department at IIT Guwahati. Our major research interests focus on the quantum dynamical studies of various chemical reactions. The time-dependent Schrodinger equation is solved to study the gas phase atom-molecule and molecule-molecule collision processes and vibrational spectra of different systems. We are also interested in studying different chemical control schemes using chirped laser pulses. The fact that we can selectively excite a particular mode and then control the outcome of the dynamics is of fundamental importance for a variety of processes such as population flow in atomic systems, branching ratio in chemical reactions and in biological systems. Use of a combination of theoretical calculations and movies of wave packets gives rise to an understanding of the mechanism of the processes. For carrying out all these dynamical studies an accurate representation of the forces is needed. Either an accurate potential energy surface is computed by carrying out extensive computational calculations or an on-the-fly dynamical calculation is performed.
Mohd Shavez
Ibanrishisha Mawa
Bishwanath Mahato
Suman Ghosh
Dr. Aditya N. Panda
Professor
Department of Chemistry
Indian Institute of Technology Guwahati
Guwahati 781039
anp@iitg.ac.in