Research Projects

In this proposal, we will use the multiscale model to simulate the magnetic as well as superconducting properties of bulk and nanomaterials. The chosen system will be transition metal-based systems. In the multiscale approach, we will use a combination of ab initio calculation together with atomistic modeling for the simulation of properties. We will investigate, antiferromagnet material for possible applications as highly fast spintronic devices and dense data storage. Further, an exchange bias model in all ferromagnetic systems will also be developed. Moreover, alternating magnetic field response of nanoparticles as a function of shape, size, core-shell thickness will be explored for possible application in cancer cell treatment. With recently published results, using DFT-based ab initio calculations as well as atomistic simulations, we gained the essential experience required for the project.