Postdoctoral Scholar
University of Chicago / Argonne National Laboratory

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I am a postdoctoral scholar at the University of Chicago / Argonne National Laboratory. My current research focuses on covalent organic frameworks as organic cathode materials for lithium-ion batteries, with the aim of improving capacity and stability.

I completed my Ph.D. in Chemical Engineering and Scientific Computing at the University of Michigan in August 2026. My doctoral work examined how electrode potential and electrolyte composition affect molecular adsorption and electrocatalytic reactions. I use density functional theory, molecular dynamics, and machine learning interatomic potentials to study these systems, and I also develop automated workflows for quantum chemistry.

• Organic cathodes for lithium-ion batteries. Developing cathode materials based on covalent organic frameworks, with a focus on stable, high-capacity organic electrodes for lithium-ion batteries.
• Electrochemical interfaces and catalysis. Studying how aqueous ions, electrode potential, and co-reactants influence adsorption and the hydrogenation of organic molecules. This work combines electronic-structure calculations, molecular dynamics, and comparisons with experiment.
• Machine learning interatomic potentials. Developing and benchmarking interatomic potentials for metal–electrolyte interfaces. These models make it possible to sample interfacial water and ions over longer times while retaining a connection to first-principles calculations.
• Automated quantum chemistry. Developing TSAgent, an agentic workflow for transition-state searches at the density functional theory level. The workflow plans calculations, evaluates their results, and revises the search as it proceeds.

• TSAgent: An Agentic Workflow for Autonomous Transition State Search. arXiv:2605.14154 (2026).
• Estimating potential-dependent physicochemical properties at metal–electrolyte interfaces using machine learning interatomic potentials. ACS Electrochemistry, 2 (5), 1176–1189 (2026).
• Benchmarking short-range machine learning potentials for atomistic simulations of metal/electrolyte interfaces. Journal of Chemical Physics, In press; preprint arXiv:2602.22931 (2026).

Full publication list

• Ph.D. dissertation: Molecular-Level Insights into Organic Adsorption and Reactivity at Electrode-Electrolyte Interfaces. University of Michigan (2026).
• Master’s thesis: Hydrothermal liquefaction of lignocellulosic biomass to produce biofuels. University of Alberta (2020).

• Ph.D., Chemical Engineering and Scientific Computing — University of Michigan, 2021–2026
• M.Sc., Chemical Engineering — University of Alberta, 2018–2020
• B.Tech., Chemical Engineering — IIT (ISM) Dhanbad, 2013–2017

• Co-chair, Gordon Research Seminar — AI for Materials, Energy and Chemical Sciences · Galveston, Texas, 2028 (upcoming)
• Graduate Student Director — AIChE Catalysis and Reaction Engineering Division, 2025–2027
• Graduate Student Representative — Michigan Chapter of the North American Catalysis Society, 2022–2024