PI at Bose Institute (NPDF-ANRF, 2025). A New Paradigm to Study Chemical Reactions - Unleashing the Power of AI and Machine Learning Towards a General Reaction Force Fields with Hessians.
Assisted-to-PI at MSU (2022-2024).
1. Robust scalable multifunctional electrode for CO2 reduction and C-C coupling in seawater. Funded by RCSA, Sloan Foundation, and Climate Works Foundation..
2. Develop a sustainable process to produce amines for direct air capture. Funded by Sloan Foundation.
3. How we can simulate the many scenarios of atmospheric CO2 and how to use the ocean to transform that CO2 into carbonates: Towards alkalinity enhancing and ocean removal enhancing, NOAA Proposal
4. Amine production on the surface of ZnFe2O4 slab considering (1 1 1), (1 1 0), (1 0 0) plane, a mechanistic approach, DOE Proposal.
5. Shed light to exploit specific structurally analogous and biomimetically reactive (water-activating and O2-evolving) OEC Mn-Ca cubane models we have discovered, and to probe the relevant reactive mechanisms responsible for water activation and O2 evolution at our hetero-cubane models. NSF Proposal.
6. Relativistic quantum mechanical calculations and analysis of response properties of lanthanide and actinide containing complexes, CAREER Proposal.
7. Fundamental Understanding for Alternative Cements and Supplementary Cementitious Materials as Sustainable Construction and Repair Materials. DOD Proposal.
8. AI/ML-Powered Computational Toolkit for Molecular Insights for Predictive Drug Design. DBT Proposal.