CNIS Lab

The CNISL Group

Our central pursuit centers on the comprehension and innovation of new molecules, materials, and devices with direct applications in energy, environment, and health. To achieve this, we leverage ab-initio tools, Monte Carlo simulations, Molecular dynamics, and Coarse-grain molecular dynamics. Our commitment extends to the active development of novel methodologies and tools within this domain. By harnessing machine learning and AI, we expedite the discovery of breakthrough materials and drugs. Key areas of focus encompass:

• Novel materials for CO2 capture and conversion
• Innovations in hydrogen generation and storage
• Supercooled liquid dynamics and nucleation studies
• Thermodynamic investigations of surfactant-oil-salt systems
• Thermodynamics of lipid-drug interactions
• Advancements in electrolyzer membrane technology
• Creation of software tools for material discovery
• Development of low Global Warming Potential (GWP) refrigerants

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