Jason and Hong-Zhou's paper Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals? is published in J. Phys. Chem. Lett.! (tldr: no)
Interplay between Local Moment and Itinerant Magnetism in the Layered Metallic Antiferromagnet TaFe1.14Te3, a huge Columbia collaboration featuring DFT calculations by Sylvia, is published in Nano Lett.
Verena's paper Highly Accurate Electronic Structure of Metallic Solids from Coupled-Cluster Theory with Nonperturbative Triple Excitations is published in Phys. Rev. Lett.! See also the nice companion paper from Andreas Grüneis's group.
Room temperature wavelike exciton transport in a van der Waals superatomic semiconductor, with theory and calculations by Petra, is published in Science! So fortunate to have great collaborators in Columbia Chemistry in the Roy and Delor groups. [Columbia Quantum Press Release]
Our Columbia Center for Computational Electrochemistry paper Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations, led by Sibali Debnath and Verena, is published in J. Phys. Chem. A.
Ethan's paper Performance of periodic EOM-CCSD for band gaps of inorganic semiconductors and insulators (with former postdoc Xiao Wang) is posted to the arXiv. We find that EOM-CCSD has a mean absolute error of about 0.4 eV over a range of materials—good, but plenty of room for improvement.
Two new and exciting papers on the arXiv from Hong-Zhou: Ab initio surface chemistry with chemical accuracy and CO Adsorption on the Surface of MgO from Periodic Coupled-Cluster Theory with Local Natural Orbitals: Adding to the Consensus.
Postdoc, Princeton University (2014-2016)
Ph.D. Columbia University (2014)
B.A. NYU (2009)
NSF Graduate Research Fellow (2019-2022)
B.S. Penn State (2019)
Ph.D. Max Planck Institute, Hamburg (2020)
M.Sc. Berlin Institute of Technology & FHI (2016)
B.Sc. Berlin Institute of Technology (2013)
Ph.D. UC Berkeley (2022)
M.Phil. University of Cambridge (2017)
A.B. Harvard University (2016)
Ph.D. University of Pittsburgh (2020)
B.S. Nazarbayev University (2015)
Ph.D. UIUC (2023)
M.Sc. IIT Bombay (2017)
B.Sc. Presidency University, Kolkata (2015)
B.S. UC Berkeley (2021)
M.S. National Taiwan University (2018)
B.S. National Taiwan University (2016)
Ph.D. MIT (2022)
M.Phil. University of Cambridge (2017)
B.S. Ohio State (2016)
B.S. University of Washington (2020)
Ph.D. MIT (2020)
B.S. Peking University (2015)
B.S. Brooklyn College (expected 2024)
Researcher, Siemens (Simcenter Culgi)
Teacher, Newton North High School
Postdoc, MIT, Kulik group
Postdoc, Yale, Hammes-Schiffer group
Assistant Professor, Bar-Ilan University
Postdoc, UT Austin, Siegel group
Data Scientist, The Trade Desk
Postdoc, MPSD, Rossi group
M.Sc. student, Oxford (expected 2023)
Software Engineer, Lucata
Ph.D. student, Caltech, Minnich group
Assistant Professor, UC Santa Cruz
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.
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.
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.
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.
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.
2019 NSF CAREER Award
3000 Broadway, 518 Havemeyer Hall, New York NY 10027
1 212 854 0347
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.