The Chemistry and Materials Science group is interested in unveiling the physics and chemistry of molecules and materials using computational methods and experimental techniques. In the computational section, this group studies the spin dynamics of magnetic molecules to answer the question of magnetic relaxation in molecules. This group studies the spin transport property of chiral magnetic molecules and the effects of electric field on the transport property of chiral molecules to understand the relation between chirality and spintronics. Besides that, this group is also interested in the computational design of magnetic molecules and molecules with spintronics behavior, and working on machine-learning prediction of chemical phenomena and properties like reaction mechanism, chemical reactivity, etc. The experimental section synthesizes and characterizes the nanoparticles and thin films, followed by computation.