We at FANGS Lab (Functionalization, Assembly, Nucleation, Growth, and Synthesis) understand the chemistry and underlying mechanisms of nucleation and the formation of metallic nanoparticles using Molecular Dynamics simulations, Density Functional theory calculations, ab initio MD, and Free energy measurements. We also explore the formation mechanisms of metal phosphates and sulfates potential applications in lithium-ion batteries, PV cells, and electrodes. The central theme of research in the group is computational soft matter, polymer coacervates, Nanocrystal formation, and mechanistic aspects.