Neelam's work focuses on the in-silico design of BODIPY-based molecules [Substituted BODIPYs, Boranils] and investigating their ability to act as photosensitizers in two-photon photodynamic therapy.
Avantika's currently exploring (1) the effect of twist and hetero-ring position on photophysical properties of Phospho-Helicenes, (2) machine learning for predicting some photophysical properties.
Rupali's work focuses on statistical mechanics.
Samarth's work primarily focuses on theoretical design and elucidation of optoelectronic properties for a few organic molecules and exploring thier application in Dye Sensitized Solar Cells (DSSC). He is also interested in investigating the dynamic evolution of protein-ligand interactions through Molecular Docking and Molecular Dynamics simulations.