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
Apr 2021
Hong-Zhou's paper Fast periodic Gaussian density fitting by range separation is published in J. Chem. Phys., demonstrating a 10x speedup over previous implementations.
Mar 2021
Sam's paper Approximating matrix eigenvalues by randomized subspace iteration is posted to the arXiv. It presents a general approach that we use to design a projector Monte Carlo method for excited states.
Mar 2021
Congratulations to Yeongsu for receiving the Spring 2021 ACS COMP Chemical Computing Group Excellence Award!
Mar 2021
Rescuing MP2 theory for periodic metals, James and Malte's paper Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches is posted to the arXiv!
Feb 2021
Tim will teach Electronic Structure Theory at the 2021 Telluride School on Theoretical Chemistry, to be held virtually July 19-23. More information and a link to apply can be found here.
Feb 2021
Jonathan's paper Vibrational heat-bath configuration interaction is published in J. Chem. Phys.!
Feb 2021
Hong-Zhou's paper Fast periodic Gaussian density fitting by range separation is posted to the arXiv!
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.
