The richness of condensed matter physics arises from the diversity of materials and their properties which are currently being investigated. The computational methods are capable of dealing with complexity of real materials and these predict a variety of exotic properties through many-body quantum mechanics based phenomena. Our group works on exploring the new frontiers of condensed matter physics including topological phase of matter, magnetic properties, superconductivity and energy harvesting materials within the framework of Density Functional Theory (DFT). We mainly focus on the magnetic materials where the interplay between magnetism and topology opens up the scope for exotic linear response effects, promising for the technological applications like data storage, information processing, energy conversion, etc.