Recent news

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!

Jan 2020

Xiao's paper, Excitons in solids from periodic equation-of-motion coupled-cluster theory, is posted to the arXiv. Across eight semiconductors and insulators, EOM-CCSD predicts first excitation energies with a mean absolute error of 0.27 eV!

Jan 2020

Tim and Michael Thoss served as Guest Editors for a Special Topic on the dynamics of open quantum systems in the Journal of Chemical Physics. Read the preface here.

Jan 2020

Sam is selected as a MolSSI Investment Software Fellow. Congrats Sam!


Group Members

Tim

Timothy Berkelbach

Principal Investigator

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

tcb2112@columbia.edu

tberkelbach@flatironinstitute.org

Sylvia

Sylvia Bintrim

Graduate Student

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

sjb2225@columbia.edu

James

James Callahan

Graduate Student

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

james.callahan@columbia.edu

Yeongsu

Yeongsu Cho

Graduate Student

B.A. Seoul National University (2015)

yc3632@columbia.edu

Jonathan

Jonathan Fetherolf

Graduate Student

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

j.fetherolf@columbia.edu

Tami

Tamar Goldzak

Postdoctoral Researcher

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

tg2733@columbia.edu

Sam

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)

smg2261@columbia.edu

Malte

Malte Lange

Graduate Student

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

ml4387@columbia.edu

Bryan

Bryan Lau

Flatiron Research Fellow

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

blau@flatironinstitute.org

Petra

Petra Shih

Graduate Student

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

ps3132@columbia.edu

Xiao

Xiao Wang

Flatiron Research Fellow

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

xwang@flatironinstitute.org


Giulia Biffi

Visiting graduate student
2019

Ph.D. student, IIT, Krahne group

Alan Lewis

Postdoctoral Researcher
2017-2019

Postdoc, MPSD, Rossi group

Shi-Ning Sun

Undergraduate Student
2017-2018

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 the 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 closely with Garnet Chan. Since starting his independent career, Tim has been named as a recipient of the AFOSR Young Investigator award, the Alfred P. Sloan Research Fellowship, the NSF CAREER award, the Hermann Kuemmel Early Achievement Award in Many-Body Physics, and the Presidential Early Career Award for Scientists and Engineers (PECASE).


Columbia University

3000 Broadway, 518 Havemeyer Hall, New York NY 10027

tcb2112@columbia.edu


Flatiron Institute

162 Fifth Avenue, Office 901, New York NY 10010

1 646 876 5930

tberkelbach@flatironinstitute.org

Join us!

Diverse problems require diverse teams. 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.