Recent news

Aug 2022

Tami, Xiao, and Hong-Zhou's paper Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2 is posted to the arXiv, demonstrating incredibly good accuracy for the lattice constant, bulk modulus, and cohesive energy of insulating solids.

Aug 2022

Verena and Hong-Zhou's paper Ground-State Properties of Metallic Solids from Ab Initio Coupled-Cluster Theory is published in J. Phys. Chem. Lett.

Jul 2022

A couple of recent papers from our CCI are posted to the ChemRxiv, featuring calculations by Ethan, Norah, and Xiao: Electric fields drive bond homolysis and Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces.

Jun 2022

Norah and Xiao's paper Linear Free Energy Relationships in Electrostatic Catalysis is published in ACS Catalysis.

Jun 2022

Congratulations to Sam, who is selected as a 2022 Schmidt Science Fellow, which will support his postdoctoral work in computational materials science for renewable energy applications! Good luck Sam, we'll miss you!

Jun 2022

Tim receives the DOE Early Career Award, which will fund our work on the vibrational dynamics of strongly anharmonic materials.

Jun 2022

James successfully defends his thesis "Applications of Coupled Cluster Theory to Models of Extended Systems of Fermions". Congratulations Dr. Callahan!

Jun 2022

Sylvia and Hong-Zhou's paper Integral-direct Hartree-Fock and Møller-Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene Crystal is posted to the arXiv. This development eliminates formerly prohibitive storage bottlenecks for calculations on materials with large unit cells in high-quality basis sets.

Jun 2022

Sam successfully defends his thesis "Stochastic Electronic Structure Methods for Molecules and Crystalline Solids". Congratulations Dr. Greene!

View older news

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)


James Callahan

Graduate Student

NDSEG Fellow (2019-2022)
M.S. University of Chicago (2018)
B.A. Harvard University (2014)


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)


Arailym Kairalapova

Postdoctoral Researcher

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


Bryan Lau

Postdoctoral Researcher

Postdoc Flatiron Institute (2019-2020)
Postdoc University of Chicago (2017-2019)
Ph.D. Northwestern University (2017)
B.S. University of Toronto (2011)


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)


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

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, starting Aug 2022

Malte Lange

Graduate Student

CEO/CTO, Nomfe

Alan Lewis

Postdoctoral Researcher

Postdoc, MPSD, Rossi group

Ellie Mackintosh

Visiting undergraduate student

Ed.M. student, Harvard (expected 2022)

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.