I am currently a Postdoctoral Research Associate in Prof. Philippe Sautet's group at Chemical & Biomolecular Engineering Dept, University of California, Los Angeles (UCLA). Prior to joining UCLA, I obtained Ph.D. working with Prof. Swapan K Pati at Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore, India.
I am a Computational Chemist with expertise in catalysis, energy storage. My research combines computational modeling (DFT, AIMD), machine learning to build high-throughput discovery of novel, economical, and efficient electrocatalysts as well as photocatalysts based on nanosheets, COFs, MOFs, alloy systems, heterointerfaces for converting hazardous gases into value-added chemicals.
Currently, I am applying data-driven machine learning and microkinetic modeling for understanding the surface structure of Heterogeneous catalysts. I am working on identifying pseudocapacitive materials with higher energy density and operation at higher potentials (vs. Li+/Li) than the currently known pseudocapacitive materials. Various machine learning models are being trained on the data and checked for their ability to adapt to the input data, which aids in the discovery of new high performance pseudocapacitive materials. I'm also working with U.S. military to investigate the degradation of lethal nerve agents like sarin on metal clusters supported by transition metal oxide.