Machine learning integrated Materials Design (MLMD) is a collaborative research group, working to accelerate development of new materials. We are based at NIT Warangal, in the Department of Mechanical Engineering. Our group use a combination of machine learning (ML), density functional theory (DFT), and Molecular dynamics (MD) simulation to design new materials through computational methods and to help accelerate the experimental characterisation of materials We collaborate extensively with fellow academics, national research centres, and various industry partners. ​