Theoretical Chemistry at The Ohio State University

The Kundu Group

We investigate the coupled dynamics of electrons, atomic nuclei, and electromagnetic fields at the crossroads of molecular and materials science. We develop new simulation techniques combining ideas of theoretical chemistry and condensed matter physics.

News and Updates

April 2026

We are actively recruiting PhD students, postdocs, and undergraduate researchers. Interested in joining us? Write to Sohang at kundu.78@osu.edu with your latest CV.

March 2026

Our office spaces are assigned! Sohang will be in Room-2114 of Newman and Wolfrom (NW) Chemical Laboratory, and the group will be in 2116 NW.

March 2026

It is official! The Kundu Group will launch at The Ohio State University in Fall, 2026.

Group Members

Sohang Kundu

Principal Investigator

Postdoc, Columbia University (2023-2026)
PhD, UIUC (2023)
MSc. IIT Bombay (2017)
BSc. Presidency University (2015)

✉ kundu.78@osu.edu

Open Position

Postdoctoral Researcher

Candidates with a PhD in any area of theoretical chemistry, condensed matter physics, or computational materials science are welcome to apply. Please write to Sohang with your CV and a brief description of research interests.

Open Position

Graduate Student

Interested students are welcome to apply through the OSU graduate chemistry and chemical physics programs. When you apply, feel free to send Sohang an email.

Open Position

Undergraduate Researcher

OSU undergrads interested to learn about research in theory and simulation are encouraged to write to us. You can also drop by at our group office during work hours.

Research Directions

We investigate how interactions between electronic excitations and atomic or lattice motion govern the behavior of condensed-phase systems, particularly under non-equilibrium conditions. We develop new simulation techniques to uncover (i) how these couplings determine spectroscopic and kinetic responses measured in experiments, and (ii) how they can be harnessed to design functional materials with tailored properties. Our current research interests include:

Electrochemical Interfaces

Solid-liquid and solid-solid interfaces govern modern energy conversion, yet their microscopic charge-transfer (CT) mechanisms remain fundamentally unresolved. We develop machine-learning approaches for non-adiabatic CT simulations at electrochemical interfaces.

Magnetic Quantum Materials

Coupling between electronic spins and lattice displacements governs the performance of candidate materials for quantum computing and sensing applications. We advance quantum embedding techniques to describe excitation dynamics in low-dimensional quantum materials.

Condensed-phase Spectroscopy

Time-resolved spectroscopy of biological and solid-state materials reveals intriguing environmental effects that critically shape reaction pathways at finite-temperatures. We develop first-principles quantum-classical methods to simulate ultrafast electronic and vibrational spectroscopy.

About Sohang

Sohang Kundu is an incoming Assistant Professor in the Department of Chemistry and Biochemistry at The Ohio State University. Sohang grew up in India, and completed his BSc. from Presidency University in 2015 and MSc. from IIT Bombay in 2017. He then moved to the US for graduate studies, and obtained his PhD in 2023 from the University of Illinois Urbana Champaign, working with Prof. Nancy Makri. From 2023-2026 he was a postdoctoral research scientist in Prof. Tim Berkelbach's group at Columbia University. Sohang will join the faculty at OSU in July, 2026.

Selected Awards

Want to know about Sohang's mentorship style?
Some of his former mentees, Diana Chamaki (d.chamaki@columbia.edu), Ellie Mackintosh (eem2203@columbia.edu), and Thomas Tsai (ht2704@columbia.edu) have graciously offered to answer any questions you have by email or on Zoom. Feel free to reach out to them!

The Ohio State University

Newman and Wolfrom Laboratory of Chemistry
100 W. 18th Ave,
Columbus, OH 43210

✉ kundu.78@osu.edu

Join us in the vibrant city of Columbus!

We are actively recruiting graduate students and postdocs. Come build the group with me!

Postdoctoral candidates: Please write directly to Sohang with your latest CV and a brief description of your current and future research interests.
Graduate student candidates: Please apply through the OSU Graduate Chemistry and Chemical Physics Programs. Students are encouraged to reach out during the application process.