Recent News
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Aug 2026
Henry Tran joins the Department of Chemistry at Mississippi State University as an Assistant Professor. Welcome to Starkville!
Group Members
Ph.D. MIT (2022)
M.Phil. University of Cambridge (2017)
B.S. The Ohio State University (2016)
No former members yet — the group is just getting started!
Research Areas
We develop and apply quantum-mechanical methods motivated by the electronic structure and dynamics of complex materials. Our work sits at the intersection of theoretical chemistry, condensed-matter physics, and materials science, with a focus on computationally tractable yet highly accurate descriptions of real systems.
Quantum Embedding Methods
We formulate and implement embedding frameworks to achieve coupled-cluster accuracy for extended and periodic systems. A central application is spin-phonon decoherence in molecular spin qubits, where accurate treatment of correlated electrons coupled to nuclear motion is essential.
Machine Learning-Accelerated Simulations
We train and deploy machine learning interatomic potentials (MLIPs), using active learning strategies to minimize the required correlated electronic structure data. Current targets include CO adsorption on metal surfaces and the electronic structure of the nitrogenase active site, where conventional methods are prohibitively expensive.
Polaron Dynamics & Charge Transport
Charge transport in organic semiconductors is governed by the interplay between electronic coupling and nuclear dynamics. We apply tensor-network methods (TD-DMRG) within an embedding framework to simulate polaron formation and mobility, enabling predictions of device-relevant properties in materials like organic crystals and hybrid perovskites.
About Henry
Henry Tran is an Assistant Professor in the Department of Chemistry at Mississippi State University. He earned a B.S. in Mathematics and Chemistry from The Ohio State University in 2016, working with Terry Miller, and an M.Phil. in Scientific Computing from the University of Cambridge in 2017 under Alexander Thom. In 2022, he completed his Ph.D. in Chemistry at MIT under the supervision of Troy Van Voorhis, where his research focused on quantum embedding and excited-state methods for molecular materials.
Prior to joining the faculty at Mississippi State in 2026, Henry was a postdoctoral researcher with Timothy Berkelbach at Columbia University. During this time, he developed machine learning potentials for correlated systems and advanced methods for nuclear quantum effects. Read more about Henry on his CV.
Outside the lab, Henry is a competitive ballroom dancer who enjoys strength training, attending Broadway musicals, and perfecting his barbecue technique.
Selected Honors & Awards
Mississippi State University
Department of Chemistry310 President's Circle
Mississippi State, MS 39762
Contact
htran@chemistry.msstate.edu
Office: Hand Chemical Laboratory 1130
Join Us!
The Tran Group welcomes students and postdocs of all backgrounds to join our diverse, collaborative team focused on developing next-generation quantum chemistry methods. If you are interested in PhD positions, postdoctoral openings, or undergraduate research opportunities at Mississippi State, please reach out directly to Henry at htran@chemistry.msstate.edu.