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Mayank Gupta, Varad Daoo, Jayant K Singh "Amine decorated MOF for Direct Capture of CO2 from Ambient Air "Dalton Transactions (2023)
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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)
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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)
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Varad Daoo, Jayant K Singh "A Generalized Framework for Data-Efficient and Extrapolative Materials Discovery for Gas Separation "Advanced Intelligent Discovery (2025)
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