CNIS Lab

The CNISL Group

Our focus is on the understanding and development of new materials for energy, environment and health applications. We use ab-initio methods, Monte Carlo and Molecular dynamics methods, Coarse-grain molecular dynamics and Brownian Dynamics to predicts properties of varied class of materials viz., nanoclusters, fluids, solids, metals, polymers. We also actively develop methods and tools in this area. We are further using machine learning and AI for accelerating the discovery of new materials and drug.