Soft Matter Simulation Laboratory

Research in my group focuses on the application of computer simulations to examine properties of battery electrolytes, polymer electrolyte membrane (PEM) fuel cells  and carbon dioxide capture. The group focuses on using Molecular Dynamics simulations to explore the effect of temperature and solvent on thermal stability, structure, grain boundary formation, ion transport in several lithium and sodium ion battery soft-solid and liquid electrolytes. We also study the effect of polymer chain length, charge carriers or dopants and fillers, effect of temperature and concentration of dopant on structure and dynamics in PEM environments.  The group also investigates the mechanisms of carbon dioxide capture in amines and several heterocyclic compounds using a suite of computational methods.  

Work Experience:

•        Professor of Chemistry, IISER Pune, Sept 2021 -  

•       Associate Professor, IISER Pune, Dec 2014 - Sept 2021

•       Assistant Professor, IISER Pune, July 2008 - Dec 2014

Postdoctoral Research: 

•        Postdoctoral Research Associate, Pacific Northwest National Laboratory, Jan 2006 –  July 2008

•        Postdoctoral Research Associate, University of Utah, Oct 2003-Oct 2005 

•        Postgraduate Researcher, University of California, Los Angeles, May 2001- Sept 2003

Education:

•         B.Sc. Sri Sathya Sai Institute of Higher Learning,  Prasanthinilayam, Andhra  Pradesh, 1990-1993

•         M.Sc. (Chemistry), Sri Sathya Sai Institute of Higher Learning,  Prasanthinilayam, Andhra Pradesh, 1993-1995  

•         Ph.D. (Chemistry), Indian Institute of Technology Bombay, 2001.