Ph.D. Scholar (Dec 2020 - Present)
Research Area Inverse design of materials using molecular simulations and machine learning
Area of Interest


Mayank Gupta, Varad Daoo, Jayant K Singh "Amine decorated MOF for Direct Capture of CO2 from Ambient Air "Dalton Transactions (2023)

Priyanka Sinha, D Roshini, Varad Daoo, B Moses Abraham, Jayant K Singh "Integrating Machine Learning and Molecular Simulation for Material Design and Discovery "Transactions of the Indian National Academy of Engineering (2023)

Varad Dao, Jayant K. Singh "Accelerating insilico discovery of metal-organic frameworks for ethane/ethylene and propane/propylene separation: a synergistic approach integrating molecular simulation, machine learning, and active learning "ACS Applied Materials and Interfaces (2024)