Welcome to our website!
Our group here within the department of mechanical engineering at IIT Madras uses atomic scale and continuum modelling techniques to understand fundamental physics governing multiscale phenomena. The core tools used include molecular dynamics, ab-intio methods, Monte-Carlo simulations. These tools are combined with higher-scale numerical schemes such as coarse graining and finite element method to solve complicated problems in materials for energy related applications like Li-ion batteries and nuclear reactors (fission and fusion). We also perform extensive simulations on polymers with an aim to model their mechanical behavior. Some of our results are validated using experimental data existing in the literature. Many simulations are however performed to provide insights, identify new physics in situations where experiments are hard to set up. We welcome collaboration in any area, where experiments and computational schemes can compliment each other to result in a better understanding.