Timothy Berkelbach, Ph.D.

Research Scientist, CCQ, Flatiron InstituteTimothy Berkelbach’s website

Timothy Berkelbach joined the Flatiron Institute in 2019 as a Research Scientist in the Center for Computational Quantum Physics. He is also an Assistant 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 an Air Force Office of Scientific Research Young Investigator, an Alfred P. Sloan Research Fellow, and a recipient of the NSF CAREER award.


Selected Publications

All publications can be found on Google Scholar

Vertex corrections to the polarizability do not improve the GW approximation for molecules, A. M. Lewis and T. C. Berkelbach, arXiv: 1810.00456 (2018)

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)

Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors, Y. Cho and T. C. Berkelbach, Phys. Rev. B 97, 041409(R) (2018) – selected as an Editors’ Suggestion

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)

Linear and nonlinear spectroscopy from quantum master equations, J. H. Fetherolf and T. C. Berkelbach, J. Chem. Phys. 147, 244109 (2017)

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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