Post-doctoral Associate
Technical University of Denmark, Denmark
Aug 2018 - presentAdvisor: Jens K. Nørskov
- Computational study on doped oxides as stable materials for oxygen reduction reaction.
- Develop new methods for homogeneous catalysis using data intensive approaches.
- In silico catalyst discovery for electrochemical oxidation of molecular nitrogen to nitrates.
- Active learning to discover molecular catalysts for challenging homogeneous reactions.
Stanford University, Stanford, California, USA
Jan 2017 - Jul 2018SUNCAT Center for Interface Science and Catalysis
Advisor: Jens K. Nørskov
- Computationally studied oxygen reduction reaction on metal-doped boron nitride sheets, metal-zeolites and gold-supported metal porphycenes.
Graduate Student
University of Georgia Athens, Georgia, USA
Aug 2012 - May 2016Center for Computational and Quantum Chemistry
Advisor: Henry F. Schaefer III
- Studied the molecular level role of silver additives in a palladium catalyzed amination reactions using Density Funtional Theory.
- Worked with (late) Prof. Paul von Ragué Schleyer and Prof. Judy I-Chia Wu on the hydrogen bond–Aromaticty cooperativity in 4-Pyridone chains.
Undergraduate Researcher
Indian Institute of Technology Bombay, Mumbai, India
Apr 2008 - Apr 2012Advisor: Raghavan B. Sunoj
- Explored reaction mechanisms and solvent effects on C–H activation reactions.
- Complex micro-solvated transition states were identified for reactions in protic solvents.