Mar 2024
Hong-Zhou's paper Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory is published in Faraday Discussions.
Mar 2024
March Meeting awards! Congratulations to Sohang, who is the recipient of the 2024 Justin Jankunas Doctoral Dissertation Award in Chemical Physics, and to LaToya, who received an APS Top Presenter Award in the undergraduate sessions!
Mar 2024
Former PhD student Yeongsu Cho will begin as an Assistant Professor in the Department of Chemistry at the University of Houston in Fall 2024!
Feb 2024
Dipti's paper Nonperturbative Simulation of Anharmonic Rattler Dynamics in Type-I Clathrates with Vibrational Dynamical Mean-Field Theory is posted to the arXiv, demonstrating accurate phonon spectra of atomistic systems with very low cost.
Jan 2024
Bryan's paper Optical Properties of Defects in Solids via Quantum Embedding with Good Active Space Orbitals is published in J. Phys. Chem. C and featured on the cover!
Jan 2024
Petra's paper Theory of Acoustic Polarons in the Two-Dimensional SSH Model Applied to the Layered Superatomic Semiconductor Re6Se8Cl2 is posted to the arXiv—a follow-up to our recent paper in Science.
Jan 2024
Ethan and Xiao's paper Performance of periodic EOM-CCSD for band gaps of inorganic semiconductors and insulators is published in J. Chem. Phys. and featured on the cover!
Postdoc, Princeton University (2014-2016)
Ph.D. Columbia University (2014)
B.A. NYU (2009)
NSF Graduate Research Fellow (2019-2022)
B.S. Penn State (2019)
Ph.D. UC Berkeley (2022)
M.Phil. University of Cambridge (2017)
A.B. Harvard University (2016)
Ph.D. University of Pittsburgh (2020)
B.S. Nazarbayev University (2015)
Ph.D. UIUC (2023)
M.Sc. IIT Bombay (2017)
B.Sc. Presidency University, Kolkata (2015)
M.Sc. University of Oxford (2023)
M.Ed. Harvard University (2022)
B.S. Davidson College (2021)
M.S. National Taiwan University (2018)
B.S. National Taiwan University (2016)
Ph.D. MIT (2022)
M.Phil. University of Cambridge (2017)
B.S. Ohio State (2016)
Ph.D. MIT (2020)
B.S. Peking University (2015)
B.S. Brooklyn College (expected 2024)
Teacher, Newton North High School
Co-founder, Minoa
Postdoc, Caltech
We work on a variety of quantum-mechanical problems motivated by excited-state phenomena. This research occurs at the fascinating interface of physical chemistry, condensed-matter physics, and materials science.
Building on modern theories of quantum dynamics, we develop powerful simulation techniques for nonequilibrium and time-resolved spectroscopies. These new tools enable the accurate simulation of extremely large and complex sytems, providing new insights into excited-state structure and dynamics.
We are actively exploring the excited-state behavior of fundamentally interesting and technologically promising materials, especially those that are anisotropic, layered, or low-dimensional. Particular materials of interest include conjugated polymers, organic molecular crystals, and quasi-two-dimensional inorganic semiconductors.
Aiming towards highly accurate but insightful descriptions of electronic excitations, we formulate and apply electronic structure methods adapted for the condensed phase. Some of our favorite tools are low-energy effective theories, many-body diagrammatics, and coupled-cluster techniques.
Interested in learning more?
Check out our publications!Timothy Berkelbach is an Associate Professor in the Department of Chemistry at Columbia University and Senior Research Scientist and Co-Director of the Initiative for Computational Catalysis at the Flatiron Institute. He received his B.A. in physics and chemistry from NYU in 2009 and his Ph.D. in chemical physics from Columbia in 2014. From 2014 to 2016, he was a postdoctoral fellow in the Princeton Center for Theoretical Science, and from 2016 to 2018, he was a Neubauer Family Assistant Professor in the Department of Chemistry and the James Franck Institute at the University of Chicago. He moved to Columbia in 2019 and received tenure in 2022. From 2019 to 2022, he was also a Research Scientist in the Center for Computational Quantum Physics at the Flatiron Institute.
2020 ACS National Fresenius Award
2019 Presidential Early Career Award for Scientists and Engineers (PECASE)
2019 Hermann Kuemmel Early Achievement Award in Many-Body Physics
2019 NSF CAREER Award
3000 Broadway, 518 Havemeyer Hall, New York NY 10027
1 212 854 0347
We welcome students and postdocs of all genders, races, ages, sexual orientations, and disability statuses. If you're interested in joining us in one of the most multicultural cities in the world, contact Tim for more information on the Columbia PhD program or postdoctoral openings.