Timothy Berkelbach, Ph.D.

Co-Director, Initiative for Computational Catalysis, Flatiron InstituteTimothy Berkelbach’s website
Tim Berkelbach selfie

Timothy Berkelbach joined the Flatiron Institute in 2019 as a Research Scientist in the Center for Computational Quantum Physics. He is also an Associate Professor in the Department of Chemistry at Columbia University. His research is focused on the development and application of new computational methods for quantum chemistry and materials science, with a focus on excited states and spectroscopy. Previously, Tim 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. from NYU in 2009 and his Ph.D. from Columbia University in 2014. He was a postdoctoral fellow at the Princeton Center for Theoretical Science from 2014 to 2016.  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).


Selected Publications

All publications can be found on Google Scholar

Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error using Fast Randomized Iteration, S. M. Greene, R. J. Webber, J. Weare, and T. C. Berkelbach, J. Chem. Theory Comput. 15, 4834 (2019)

Random-phase approximation excitation energies from approximate equation-of-motion coupled-cluster doubles, T. C. Berkelbach, J. Chem. Phys. 149, 041103 (2018) – selected as an Editor’s Pick

On the Relation between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation, M. F. Lange and T. C. Berkelbach, J. Chem. Theory. Comput. 14, 4224 (2018)

Optical and Excitonic Properties of Atomically Thin Transition-Metal Dichalcogenides, T. C. Berkelbach and D. R. Reichman, Ann. Rev. Cond. Matt. Phys. 9, 379 (2018)

PySCF: the Python-based simulations of chemistry framework, Q. Sun, T. C. Berkelbach, N. S. Blunt, G. H. Booth, S. Guo, Z. Li, J. Liu, J. McClain, S. Sharma, S. Wouters, and G. K.-L. Chan, WIREs Comput. Mol. Sci. 8, e1340 (2018)

Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids, J. McClain, Q. Sun, G. K.-L. Chan, and T. C. Berkelbach, J. Chem. Theory Comput. 13, 1209 (2017)

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