Timothy C. Berkelbach

Institute of Catalysis and Petrochemistry

Also affiliated with Flatiron Health (United States), Flatiron Institute, Columbia University

Physics and AstronomyMaterials ScienceEngineering

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 36 papers. Top paper: “Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states”.

Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states

Molecular Physics(2020)10.1080/00268976.2020.1808726

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11 citations

Timothy C. Berkelbach, Malte F. Lange

Full-frequency GW without frequency

The Journal of Chemical Physics(2021)10.1063/5.0035141

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71 citations

Timothy C. Berkelbach, Sylvia J. Bintrim

Fast periodic Gaussian density fitting by range separation

The Journal of Chemical Physics(2021)10.1063/5.0046617

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36 citations

Timothy C. Berkelbach, Hong‐Zhou Ye

Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches

The Journal of Chemical Physics(2021)10.1063/5.0049890

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17 citations

Malte F. Lange, Timothy C. Berkelbach, James M. Callahan

Simulations of Trions and Biexcitons in Layered Hybrid Organic-Inorganic Lead Halide Perovskites

Physical Review Letters(2021)10.1103/physrevlett.126.216402

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18 citations

Samuel M. Greene, Timothy C. Berkelbach, Yeongsu Cho

Vibrational heat-bath configuration interaction

The Journal of Chemical Physics(2021)10.1063/5.0035454

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18 citations

Timothy C. Berkelbach, Jonathan H. Fetherolf

Improving MP2 bandgaps with low-scaling approximations to EOM-CCSD

The Journal of Chemical Physics(2021)10.1063/5.0061242

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14 citations

Timothy C. Berkelbach, Malte F. Lange

A simplified GW/BSE approach for charged and neutral excitation energies of large molecules and nanomaterials

arXiv (Cornell University)(2021)10.48550/arxiv.2109.04421

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2 citations

Sylvia J. Bintrim, Timothy C. Berkelbach, Yeongsu Cho

Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions

The Journal of Chemical Physics(2021)10.1063/5.0064151

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0 citations

Timothy C. Berkelbach, Hong‐Zhou Ye

Anharmonic Lattice Dynamics from Vibrational Dynamical Mean-Field Theory

arXiv (Cornell University)(2021)10.48550/arxiv.2109.00028

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0 citations

Timothy C. Berkelbach, Petra Shih

Ground-State Properties of Metallic Solids from Ab Initio Coupled-Cluster Theory

The Journal of Physical Chemistry Letters(2022)10.1021/acs.jpclett.2c01828

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34 citations

Hong‐Zhou Ye, Timothy C. Berkelbach, Verena A. Neufeld

Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces

Chemical Science(2022)10.1039/d2sc03780g

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25 citations

Rachel L. Starr, Norah M. Hoffmann, Xiao Wang, Austin M. Evans, Colin Nuckolls +6 more

Full-frequency dynamical Bethe–Salpeter equation without frequency and a study of double excitations

The Journal of Chemical Physics(2022)10.1063/5.0074434

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31 citations

Timothy C. Berkelbach, Sylvia J. Bintrim

Simplified GW/BSE Approach for Charged and Neutral Excitation Energies of Large Molecules and Nanomaterials

Journal of Chemical Theory and Computation(2022)10.1021/acs.jctc.2c00087

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22 citations

Sylvia J. Bintrim, Timothy C. Berkelbach, Yeongsu Cho

Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2

The Journal of Chemical Physics(2022)10.1063/5.0119633

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8 citations

Xiao Wang, Hong‐Zhou Ye, Timothy C. Berkelbach, Tamar Goldzak

Correlation-Consistent Gaussian Basis Sets for Solids Made Simple

Journal of Chemical Theory and Computation(2022)10.1021/acs.jctc.1c01245

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1 citations

Timothy C. Berkelbach, Hong‐Zhou Ye

Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces

ChemRxiv(2022)10.26434/chemrxiv-2022-jqwmn

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1 citations

Rachel L. Starr, Norah M. Hoffmann, Xiao Wang, Austin M. Evans, Colin Nuckolls +6 more

Ground-state properties of metallic solids from ab initio coupled-cluster theory

arXiv (Cornell University)(2022)10.48550/arxiv.2204.01563

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0 citations

Hong‐Zhou Ye, Timothy C. Berkelbach, Verena A. Neufeld

Normal state of attractive Fermi gases from coupled-cluster theory

Physical review. A/Physical review, A(2022)10.1103/physreva.106.033303

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0 citations

John Sous, Timothy C. Berkelbach, James M. Callahan

Excitons and their Fine Structure in Lead Halide Perovskite Nanocrystals from Atomistic GW/BSE Calculations

arXiv (Cornell University)(2022)10.48550/arxiv.2210.01324

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0 citations

Yeongsu Cho, Roman Krahne, Timothy C. Berkelbach, Giulia Biffi

Highly Accurate Electronic Structure of Metallic Solids from Coupled-Cluster Theory with Nonperturbative Triple Excitations

Physical Review Letters(2023)10.1103/physrevlett.131.186402

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23 citations

Timothy C. Berkelbach, Verena A. Neufeld

Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations

The Journal of Physical Chemistry A(2023)10.1021/acs.jpca.3c04369

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14 citations

Verena A. Neufeld, Leif D. Jacobson, Benjamin Rudshteyn, John L. Weber, Timothy C. Berkelbach +2 more

Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals

The Journal of Chemical Physics(2023)10.1063/5.0172702

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7 citations

Timothy C. Berkelbach, Henry K. Tran

Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory

arXiv (Cornell University)(2023)10.48550/arxiv.2309.14651

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2 citations

Timothy C. Berkelbach, Hong‐Zhou Ye

Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals

arXiv (Cornell University)(2023)10.48550/arxiv.2307.13246

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0 citations

Timothy C. Berkelbach, Henry K. Tran

Can spin-component scaled MP2 achieve kJ/mol accuracy for cohesive energies of molecular crystals?

arXiv (Cornell University)(2023)10.48550/arxiv.2307.14514

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0 citations

Hong‐Zhou Ye, Timothy C. Berkelbach, Liang Yu

Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theory

Faraday Discussions(2024)10.1039/d4fd00041b

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28 citations

Timothy C. Berkelbach, Hong‐Zhou Ye

Periodic Local Coupled-Cluster Theory for Insulators and Metals

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.4c00936

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27 citations

Timothy C. Berkelbach, Hong‐Zhou Ye

Performance of periodic EOM-CCSD for bandgaps of inorganic semiconductors and insulators

The Journal of Chemical Physics(2024)10.1063/5.0187856

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21 citations

Xiao Wang, Timothy C. Berkelbach, Ethan Vo

Reaction Rate Theory for Electric Field Catalysis in Solution

Journal of the American Chemical Society(2024)10.1021/jacs.4c05877

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7 citations

Timothy C. Berkelbach, Sohang Kundu

Theory of acoustic polarons in the two-dimensional SSH model applied to the layered superatomic semiconductor Re6Se8Cl2

The Journal of Chemical Physics(2024)10.1063/5.0205066

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5 citations

Timothy C. Berkelbach, Petra Shih

Theory of Acoustic Polarons in the Two-Dimensional SSH Model Applied to the Layered Superatomic Semiconductor Re6Se8Cl2

arXiv (Cornell University)(2024)10.48550/arxiv.2401.14312

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0 citations

Timothy C. Berkelbach, Petra Shih

Reaction Rate Theory for Electric Field Catalysis in Solution

arXiv (Cornell University)(2024)10.48550/arxiv.2404.01455

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0 citations

Timothy C. Berkelbach, Kundu, Sohang

Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates

arXiv (Cornell University)(2024)10.48550/arxiv.2409.08242

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0 citations

Timothy C. Berkelbach, Dipti Jasrasaria

Diabatic states of charge transfer with constrained charge equilibration

arXiv (Cornell University)(2024)10.48550/arxiv.2411.04807

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0 citations

Hong‐Zhou Ye, Timothy C. Berkelbach, Sohang Kundu

Diabatic States of Charge Transfer with Constrained Charge Equilibration

Journal of Chemical Theory and Computation(2025)10.1021/acs.jctc.4c01604

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1 citations

Hong‐Zhou Ye, Timothy C. Berkelbach, Sohang Kundu