Recent news

Mar 2023

Verena's tour de force Highly accurate electronic structure of metallic solids from coupled-cluster theory with nonperturbative triple excitations is posted to the arXiv. A significant improvement over CCSD (see our previous paper), CCSDT recovers 92-99% of the exact correlation energy of the uniform electron gas at metallic densities and gets within a few millihartrees of the experimental cohesive energy of lithium.

Feb 2023

We predicted strongly bound trions in two-dimensional halide perovskites in this Phys. Rev. Lett. in 2021. This has now been confirmed experimentally, in our recent collaboration with the Yaffe and Chernikov groups: Mobile Trions in Electrically Tunable Two‐dimensional Hybrid Perovskites, published in Advanced Materials.

Feb 2023

Data-Efficient Machine Learning Potentials from Transfer Learning of Periodic Correlated Electronic Structure Methods: Liquid Water at AFQMC, CCSD, and CCSD(T) Accuracy is published in J. Chem. Theory Comput. as part of the Machine Learning for Molecular Simulation special issue.

Jan 2023

Bryan's paper Optical properties of defects in solids via quantum embedding with good active space orbitals is posted to the arXiv—an extension of our previous work on regional embedding, now focused on excited states.

Jan 2023

Electric fields drive bond homolysis, a product of our CCI for Chemistry with Electric Fields, featuring calculations by Ethan, is published in Chem. Sci.

Jan 2023

Two papers are published in J. Phys. Chem. C as part of the virtual special issue "Honoring Michael R. Berman": Petra's paper Anisotropically Fused Clusters Form a 2D Superatomic Sheet Exhibiting Polarized Light Emission, a collaboration with the Nuckolls, Roy, and Zhu groups, and Giulia and Yeongsu's paper Excitons and Their Fine Structure in Lead Halide Perovskite Nanocrystals from Atomistic GW/BSE Calculations.

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Group Members


Timothy Berkelbach

Principal Investigator

Postdoc 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)


Norah Hoffmann

Leopoldina Postdoctoral Fellow

Ph.D. Max Planck Institute, Hamburg (2020)
M.Sc. Berlin Institute of Technology & FHI (2016)
B.Sc. Berlin Institute of Technology (2013)


Dipti Jasrasaria

Postdoctoral Researcher

Ph.D. UC Berkeley (2022)
M.Phil. University of Cambridge (2017)
A.B. Harvard University (2016)


Arailym Kairalapova

Postdoctoral Researcher

Ph.D. University of Pittsburgh (2020)
B.S. Nazarbayev University (2015)


Yu Hsuan (Jason) Liang

Graduate Student

B.S. UC Berkeley (2021)


Verena Neufeld

Postdoctoral Researcher

Ph.D. University of Cambridge (2020)
M.Phil. University of Cambridge (2015)
M.Sci., B.A. University of Cambridge (2014)


Petra Shih

Graduate Student

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


Henry Tran

Postdoctoral Researcher

Ph.D. MIT (2022)
M.Phil. University of Cambridge (2017)
B.S. Ohio State (2016)


Ethan Vo

Graduate Student

B.S. University of Washington (2020)


Hong-Zhou Ye

Postdoctoral Researcher

Ph.D. MIT (2020)
B.S. Peking University (2015)

Show/hide former members

LaToya Anderson

Visiting undergraduate student

B.S. Brooklyn College (expected 2024)

Giulia Biffi

Visiting graduate student

Postdoc, Centro de Fisica de Materiales, Coto group

James Callahan

Graduate student

Teacher, Newton North High School

Yeongsu Cho

Graduate student

Postdoc, MIT, Kulik group

Jonathan Fetherolf

Graduate student

Postdoc, Yale, Hammes-Schiffer group

Tamar Goldzak

Postdoctoral Researcher

Assistant Professor, Bar-Ilan University

Sam Greene

Graduate Student

Postdoc, UT Austin, Siegel group

Malte Lange

Graduate Student

CEO/CTO, Nomfe

Bryan Lau

Postdoctoral Researcher

Data Scientist, The Trade Desk

Alan Lewis

Postdoctoral Researcher

Postdoc, MPSD, Rossi group

Ellie Mackintosh

Visiting undergraduate student

M.Sc. student, Oxford (expected 2023)

James Smith

Flatiron Research Fellow

Software Engineer, Lucata

Shi-Ning Sun

Undergraduate Student

Ph.D. student, Caltech, Minnich group

Xiao Wang

Flatiron Research Fellow

Assistant Professor, UC Santa Cruz

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 Associate Professor in the Department of Chemistry at Columbia University. 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, where he is now a Visiting Scholar.

Columbia University

3000 Broadway, 518 Havemeyer Hall, New York NY 10027

1 212 854 0347

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 Columbia PhD program or postdoctoral openings.