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
Dec 2021
An important step towards making correlated calculations for solids as reliably predictive as those for molecules, Hong-Zhou's paper Correlation-consistent Gaussian basis sets for solids made simple is posted to the arXiv. We're happy to share the alpha version of our GTH basis sets while our manuscript is under review—just ask!
Nov 2021
Norah and Xiao's paper Linear free energy relationships in electrostatic catalysis is posted to the arXiv. This work is part of the Columbia NSF CCI for Chemistry with Electric Fields.
Nov 2021
A great collaboration with the Awschalom and Freedman groups, with theory contributions from Arai, Tami, and Sam, Tunable Cr4+ Molecular Color Centers is published in JACS.
Nov 2021
Welcome to Yu Hsuan (Jason) Liang, who joins the group as a first-year PhD student! Before coming to Columbia, Jason received his BS in Chemistry at UC Berkeley, where he performed research in the Head-Gordon group.
Oct 2021
Following her previous work on Full-frequency GW without frequency, Sylvia's latest paper Full-frequency dynamical Bethe-Salpeter equation without frequency and a study of double excitations is posted to the arXiv.
Sep 2021
Hong-Zhou's paper Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions is published in J. Chem. Phys.!
Sep 2021
Yeongsu and Sylvia's paper A simplified GW/BSE approach for charged and neutral excitation energies of large molecules and nanomaterials is posted to the arXiv! Exhausted with building semiempirical models by hand (like in this paper), we have long wanted a cheap, black-box method.
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)
Postdoc MIT (2017-2019)
Ph.D. Technion (2017)
B.Sc. Technion (2010)
DOE SCGSR Fellow (2021-2022)
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)
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)
B.S. Brooklyn College (expected 2024)
Ed.M. student, Harvard (expected 2022)
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 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.
