Recent news

May 2020

Congratulations to Yeongsu for receiving the Columbia Chemistry department's 2020-2021 Kathy Chen Fellowship, which is awarded to a rising fifth year student in recognition of that student's distinguished achievements and potential!

May 2020

Sam's paper, Improved Fast Randomized Iteration Approach to Full Configuration Interaction, with Rob Webber and Jonathan Weare, is posted to the arXiv.

Apr 2020

Mar 2020

Excitons in Solids from Periodic Equation-of-Motion Coupled-Cluster Theory is published in J. Chem. Theory Comput. Congrats Xiao and great work!

Feb 2020

Tim is appointed to the Early Career Editorial Advisory Board of the Journal of Chemical Physics.

Feb 2020

Alan's paper, Ab Initio Linear and Pump-Probe Spectroscopy of Excitons in Molecular Crystals, is published in J. Phys. Chem. Letters! Awesome work Alan!

Feb 2020

Summarizing the design philosophy, features, and impact, Recent developments in the PySCF program package is posted to the arXiv. This article describes the state of PySCF v1.7.1, the final version before v2.0 - coming soon!

Group Members


Timothy Berkelbach

Principal Investigator

Fellow at PCTS (2014-2016)
Ph.D. Columbia University (2014)
B.A. NYU (2009)


Sylvia Bintrim

Graduate Student

NSF Graduate Research Fellow (2019-2022)
B.S. Penn State (2019)


James Callahan

Graduate Student

NDSEG Fellow (2019-2022)
B.A. Harvard University (2014)


Yeongsu Cho

Graduate Student

B.A. Seoul National University (2015)


Jonathan Fetherolf

Graduate Student

NSF Graduate Research Fellow (2018-2021)
B.A. Rutgers University (2016)


Tamar Goldzak

Postdoctoral Researcher

Postdoc MIT (2017-2019)
Ph.D. Technion (2017)
B.Sc. Technion (2010)


Sam Greene

Graduate Student
joint w/ J. Weare (NYU Courant)

MolSSI Software Fellow (2019-2021)
M.S. Oxford University (2016)
Rhodes Scholar (2014-2016)
B.S. University of Chicago (2014)


Malte Lange

Graduate Student

NSF Graduate Research Fellow (2018-2021)
B.S. University of Washington (2016)


Bryan Lau

Flatiron Research Fellow

Ph.D. Northwestern University (2017)
B.S. University of Toronto (2011)


Petra Shih

Graduate Student

M.S. National Taiwan University (2018)
B.S. National Taiwan University (2016)


Xiao Wang

Flatiron Research Fellow

Postdoc Virginia Tech (2016-2018)
Ph.D. University of Georgia (2016)
B.S. Beihang University (2012)

Giulia Biffi

Visiting graduate student

Ph.D. student, IIT, Krahne group

Alan Lewis

Postdoctoral Researcher

Postdoc, MPSD, Rossi group

Shi-Ning Sun

Undergraduate Student

Ph.D. student, Caltech, Minnich group

Research areas

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.

Quantum dynamics and spectroscopy

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.

Emerging materials

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.

Condensed-phase electronic structure

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!

About Tim

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.

Columbia University

3000 Broadway, 518 Havemeyer Hall, New York NY 10027

1 212 854 0347

Flatiron Institute

162 Fifth Avenue, Office 934, New York NY 10010

1 646 876 5930

Join us!

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.