CNIS Lab

The CNISL Group

Our focus is to understand and expedite the understanding and development of new molecules for energy, environment, and health applications. We use ab-initio tools, Monte Carlo and Molecular dynamics, and Coarse-grain molecular dynamics. We also actively develop methods and tools in this area. In addition, we are further using machine learning and AI to accelerate the discovery of new materials and drugs. The key projects are

• CO2 capture and conversion using novel materials
• Hydrogen generation and storage
• Supercooled liquid, nucleation
• Surfactant-oil-salt thermodynamics
• Thermodynamics of Lipid-drug systems

In addition to the above, we actively work in product development. The current projects are in the area of soil health and cancer detection.