Simulations And Informatics of MATerials Group

Our group applies the principles of computational materials science, ab initio thermodynamics, electronic structure, kinetics, and electrochemistry for materials design and discovery for energy applications. Specifically, we look at energy storage (beyond Li-ion systems) and energy harvesting (photovoltaics and thermochemical water-splitting) applications.

We are currently affiliated with the Department of Materials Engineering at the Indian Institute of Science (or IISc).

© Sai Gautam Gopalakrishnan - Powered by Jekyll and adapted from, with inputs from PC.