Computational Condensed matter and Materials Physics Laboratory

Welcome to the Computational Condensed Matter and Materials Physics Research Group, a subunit within the Department of Physics at the Indian Institute of Technology Ropar, located in the vibrant state of Punjab, India.

Our research ethos revolves around advancing and applying first principles computational modelling methods, including Density Functional Theory (DFT)-based  atomistic simulations, many-body perturbation theory (MBPT), and molecular dynamics. We strongly believe that following the principles of Quantum Mechanics allows us to understand the physical properties of materials without needing empirical assumptions, relying solely on chemical and structural information as input parameters. With unwavering dedication, we lead the way in designing materials tailored specifically for energy applications. Our efforts go beyond mere exploration; we delve deep into the realm of materials for energy conversion and storage, exploring the intricacies of magnetism in quantum materials using sophisticated electronic structure and atomic-scale modelling techniques.

Our expertise spans a broad spectrum of first principles calculations, encompassing structural, electronic, transport, and optical properties of emerging functional materials and heterostructures. In our pursuit of knowledge, we integrate first principles methodologies with analytical modelling and data science techniques. Our objective is twofold: to elucidate materials design principles and expedite the discovery process by fostering new physical and chemical insights. Our collective mission is ambitious yet clear: to push existing materials to new heights and discover ground-breaking candidates capable of revolutionising energy technologies.

Join us as we embark on an exhilarating journey towards uncovering the next generation of materials that will shape the future of energy technologies.