Predicting & Understanding Thermophysical Properties of Phase Change Materials via Molecular Simulations

A reversible phase transition (e.g. solid-solid, solid-liquid, liquid-vapour) involves latent heat at the transition temperature for a given pressure. In this project we will be performing molecular simulations to predict the thermophysical properties of novel materials for use in thermal energy storage and understand the underlying molecular level interactions occurring in the different phases.

For more information, please email at adhikari@che.iitb.ac.in