The Berkelbach Group
Theoretical chemistry in New York City
Department of Chemistry at Columbia University
Center for Computational Quantum Physics at the Flatiron Institute
Department of Chemistry at Columbia University
Center for Computational Quantum Physics at the Flatiron Institute
Nov 2020
Welcome to Ethan Vo, who joins the group as a first-year graduate student! Before coming to Columbia, Ethan was an undergraduate at the University of Washington.
Oct 2020
A new paper from Jonathan is posted to the arXiv! Vibrational heat-bath configuration interaction can efficiently calculate anharmonic vibrational spectra of large molecules with sub-wavenumber accuracy.
Oct 2020
Yeongsu and Sam team-up, comparing large variational calculations and diffusion Monte Carlo for Simulations of Trions and Biexcitons in Layered Hybrid Organic-Inorganic Lead Halide Perovskites!
Oct 2020
Bryan's paper, Regional Embedding Enables High-Level Quantum Chemistry for Surface Science, a collaboration with Gerald Knizia, is posted to the arXiv!
Sep 2020
Sylvia's paper, Full-Frequency GW without Frequency, is posted to the arXiv!
Sep 2020
Welcome back to postdoc James Smith (Ph.D. CU Boulder, Sharma group), who returns to CCQ as a Flatiron Research Fellow after spending summer 2019 as a CCQ Summer Intern.
Sep 2020
Welcome to our new Columbia postdocs Norah Hoffmann (Ph.D. MPSD, Rubio group), Arai Kairalapova (Ph.D. Pitt, Jordan group), Verena Neufeld (Ph.D. Cambridge, Thom group), and Hongzhou Ye (Ph.D. MIT, Van Voorhis group)!
Aug 2020
Malte's paper, Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states, is published in a special issue of Molecular Physics in honor of Jürgen Gauss.
Aug 2020
Tim receives the 2020 ACS National Fresenius Award sponsored by Phi Lambda Upsilon!
Aug 2020
Sam's paper, Improved Fast Randomized Iteration Approach to Full Configuration Interaction, is published in J. Chem. Theory Comput.
Aug 2020
An NSF award to the Berkelbach, Nuckolls, Rovis, Roy, and Venkataraman groups will support the Center for Chemistry with Electric Fields (ChEF), an NSF Center for Chemical Innovation. [Columbia News]
Fellow at PCTS (2014-2016)
Ph.D. Columbia University (2014)
B.A. NYU (2009)
NSF Graduate Research Fellow (2019-2022)
B.S. Penn State (2019)
NDSEG Fellow (2019-2022)
M.S. University of Chicago (2018)
B.A. Harvard University (2014)
M.S. University of Chicago (2017)
B.A. Seoul National University (2015)
NSF Graduate Research Fellow (2018-2021)
M.S. University of Chicago (2017)
B.A. Rutgers University (2016)
Postdoc MIT (2017-2019)
Ph.D. Technion (2017)
B.Sc. Technion (2010)
MolSSI Software Fellow (2019-2021)
M.S. Oxford University (2016)
Rhodes Scholar (2014-2016)
B.S. University of Chicago (2014)
Ph.D. Max Planck Institute, Hamburg (2020)
M.Sc. Berlin Institute of Technology & FHI (2016)
B.Sc. Berlin Institute of Technology (2013)
Ph.D. University of Pittsburgh (2020)
B.S. Nazarbayev University (2015)
NSF Graduate Research Fellow (2018-2021)
M.S. University of Chicago (2017)
B.S. University of Washington (2016)
Postdoc Flatiron Institute (2019-2020)
Postdoc University of Chicago (2017-2019)
Ph.D. Northwestern University (2017)
B.S. University of Toronto (2011)
Ph.D. University of Cambridge (2020)
M.Phil. University of Cambridge (2015)
M.Sci., B.A. University of Cambridge (2014)
M.S. National Taiwan University (2018)
B.S. National Taiwan University (2016)
Ph.D. University of Colorado Boulder (2020)
B.S. Davidson College (2014)
Postdoc Virginia Tech (2016-2018)
Ph.D. University of Georgia (2016)
B.S. Beihang University (2012)
Ph.D. MIT (2020)
B.S. Peking University (2015)
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 Assistant Professor in the Department of Chemistry at Columbia University and a Research Scientist in the Center for Computational Quantum Physics at the Flatiron Institute. 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 received his B.A. in physics and chemistry from NYU in 2009 and his Ph.D. in chemical physics from Columbia University in 2014, where he was a Department of Energy Office of Science Graduate Research Fellow advised by David Reichman. Tim then spent two years as a fellow of the Princeton Center for Theoretical Science, working with Garnet Chan. He currently serves on the Early Career Editorial Advisory Board for the Journal of Chemical Physics.
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
162 Fifth Avenue, Office 934, New York NY 10010
1 646 876 5930
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 graduate program at Columbia or postdoctoral openings at Columbia or the Flatiron Institute.
