Research Interests:

• Ab initio molecular dynamics (AIMD) - Surface science

• Electronic structure calculations - DFT/TDDFT study

• Electrocatalysis / Photocatalysis - HER, OER, NRR, and CO2RR

• Quantum dynamics of simple bimolecular reactions in the gas-phase

• Theoretical photophysics and spectroscopy

• Theoretical methodology | Algorithm development

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Research Projects / Funds:

• DST young scientist Project No. SR/FT/CS-166/2011, Dt. 04.02.2013 under fast-track scheme (2013 - 2016), Rs. 22,40,000 - Completed. (Title: "Full-dimensional quantum wavepacket dynamics of N+NO reaction")

• University Start-up Grant No. PU/PC/Start-up Grant/ 2011-12/575, Dt. 03.08.2011 (2011 - 2014), Rs. 5,00,000 - Completed

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