CV

PhD Candidate in Chemistry

Carnegie Mellon University

Investigate redox-active systems using computational and experimental approaches.

• Redox-active systems
• Physical organic chemistry
• Computational chemistry
• Machine learning

BS-MS

Indian Institute of Science Eduacation and Research, Bhopal

Chemistry

NSF I-Corps Regional

U.S. National Science Foundation

Samuel S Wang Travel Award

Department of Chemistry, Carnegie Mellon University

DST-INSPIRE Fellowship

Department of Science and Technology, Govt. of India

Machine Learning-Accelerated Screening of Hydroquinone Analogs for Proton-Coupled Electron Transfer

ChemRxiv

Ultra-fast ML based computational screening of PCET reagents validated by experiments.

Stepwise 6H+/6e– Electron-Coupled-Proton Buffers based on Fe and Redox-Active Ligands

ACS Inorganic Chemistry

We studied a series of Fe-based 6H+/6e– electron-coupled-proton buffers (Fe-ECPBs) with detailed thermochemical analysis - for applications in energy devices and catalysis.

Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H+/4e– Electron-Coupled-Proton Buffers

ACS Inorganic Chemistry

This work involves synthesis and characterization of a series of Cu-based 4H+/4e– electron-coupled-proton buffers (Cu-ECPBs) with a range of thermochemical analysis - for potential use in energy devices and catalysis.

A Chemical Model of a TET Enzyme for Selective Oxidation of Hydroxymethyl Cytosine to Formyl Cytosine

ACS Inorganic Chemistry

This is a study of an iron based transition metal complex (Fe-TAML) that somewhat mimics TET enzymatic activity - potentially useful for studying rare epigenetic markers and drug desugn.