Our group works on multidisciplinary research problems in physics to understand the solvation, structure, transport and relaxation phenomena at the forefront of materials science, polymer physics, chemical physics, and condensed matter physics. In a nutshell, we undertake some of the outstanding issues related to the heat energy transfer and energy storage by investigating the underlying mechanisms at a fundamental level. Within the framework of Green-Kubo formalism and NEMD, we aim to understand thermal conductivity in 2D condensed matter systems and ion transport mechanisms in advanced battery electrolyte materials. To this end, we develop and apply appropriate computational models involving multiscale simulation framework including, but not limited to, ab-initio, atomistic and coarse-grained simulation methods.