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Research Staff

Diptarka Hait, Ph.D.

Associate Research Scientist, Initiative for Computational Catalysis

Affiliations
  • Assistant Professor of Chemistry, Columbia University
Email
[email protected]
Website
haitgroup.com

Bio

Diptarka Hait joined the Flatiron Institute in July 2025 as an Associate Research Scientist in the Initiative for Computational Catalysis. He is also an Assistant Professor of Chemistry at Columbia University. Dip’s research focuses on the development of theoretical methods to model electronic excited states, as well as their application to investigate photocatalysis and other forms of light-driven chemistry. He is also interested in modeling homogenous catalysis by open-shell species like transition metal complexes. Dip was previously a Stanford Science Fellow from 2022 to 2025. He received his S.B. from MIT in 2016 and his Ph.D. from UC Berkeley in 2022, with his doctoral research being supported by a Berkeley Fellowship and the Pimentel Research Award. Dip also received a Young Investigator Award from the ACS Division of Physical Chemistry.

Publications

Visible Imaging of Incoherent 1200-nm Light via Triplet–Triplet Annihilation Upconversion

arxiv:2510.15184, October 16, 2025

Pournima Narayanan, Rabeeya Hamid, Linda Pucurimay, Ona Segura Lecina, Ben P. Carwithen, Jacob Schopp, et al.

Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin-Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory.

Journal of Chemical Theory and Computation, arxiv:2505.14570, September 9, 2025

Richard Kang, Leonardo A Cunha, Diptarka Hait, and Martin Head-Gordon

Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory

arxiv:, 2025

Diptarka Hait

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Initiative for Computational Catalysis

We develop and apply computational techniques to enable the rational design of more efficient and affordable catalysts.

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