Timothy Berkelbach
Columbia University in the City of New York
H-index: 38
North America-United States
Top articles of Timothy Berkelbach
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Reaction Rate Theory for Electric Field Catalysis in Solution | arXiv preprint arXiv:2404.01455 | Sohang Kundu Timothy C Berkelbach | 2024/4/1 |
Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory | Faraday Discussions | Hong-Zhou Ye Timothy C Berkelbach | 2024 |
Optical properties of defects in solids via quantum embedding with good active space orbitals | The Journal of Physical Chemistry C | Bryan TG Lau Brian Busemeyer Timothy C Berkelbach | 2023 |
Ligand field design enables quantum manipulation of spins in Ni 2+ complexes | Chemical Science | Michael K Wojnar Krishnendu Kundu Arailym Kairalapova Xiaoling Wang Andrew Ozarowski | 2024 |
Nonperturbative Simulation of Anharmonic Rattler Dynamics in Type-I Clathrates with Vibrational Dynamical Mean-Field Theory | arXiv preprint arXiv:2402.08087 | Dipti Jasrasaria Timothy C Berkelbach | 2024/2/12 |
Performance of periodic EOM-CCSD for bandgaps of inorganic semiconductors and insulators | The Journal of Chemical Physics | Ethan A Vo Xiao Wang Timothy C Berkelbach | 2024/1/28 |
Performant Automatic Differentiation of Local Coupled Cluster Theories: Response Properties and Ab Initio Molecular Dynamics | arXiv preprint arXiv:2404.03129 | Xing Zhang Chenghan Li Hong-Zhou Ye Timothy C Berkelbach Garnet Kin Chan | 2024/4/4 |
Theory of Acoustic Polarons in the Two-Dimensional SSH Model Applied to the Layered Superatomic Semiconductor Re6Se8Cl2 | arXiv preprint arXiv:2401.14312 | Petra Shih Timothy C Berkelbach | 2024/1/25 |
Excitons and their fine structure in lead halide perovskite nanocrystals from atomistic GW/BSE calculations | The Journal of Physical Chemistry C | Giulia Biffi Yeongsu Cho Roman Krahne Timothy C Berkelbach | 2023/1/25 |
Ab initio quantum many-body description of superconducting trends in the cuprates | arXiv preprint arXiv:2306.16561 | Zhi-Hao Cui Junjie Yang Johannes Tölle Hong-Zhou Ye Huanchen Zhai | 2023/6/28 |
Interplay between Local Moment and Itinerant Magnetism in the Layered Metallic Antiferromagnet TaFe1.14Te3 | Nano Letters | Sae Young Han Evan J Telford Asish K Kundu Sylvia J Bintrim Simon Turkel | 2023/11/7 |
Anisotropically Fused Clusters Form a 2D Superatomic Sheet Exhibiting Polarized Light Emission | The Journal of Physical Chemistry C | Taketo Handa Petra Shih Christie S Koay Colin Nuckolls Xavier Roy | 2023/1/11 |
Understanding and eliminating spurious modes in variational Monte Carlo using collective variables | Physical Review Research | Huan Zhang Robert J Webber Michael Lindsey Timothy C Berkelbach Jonathan Weare | 2023/5/15 |
Highly accurate electronic structure of metallic solids from coupled-cluster theory with nonperturbative triple excitations | Physical Review Letters | Verena A Neufeld Timothy C Berkelbach | 2023/10/30 |
Electric fields drive bond homolysis | Chemical Science | Boyuan Zhang Cedric Schaack Claudia R Prindle Ethan A Vo Miriam Aziz | 2023 |
Mobile Trions in Electrically Tunable 2D Hybrid Perovskites | Advanced Materials | Jonas D Ziegler Yeongsu Cho Sophia Terres Matan Menahem Takashi Taniguchi | 2023/5 |
Room-temperature wavelike exciton transport in a van der Waals superatomic semiconductor | Science | Jakhangirkhodja A Tulyagankhodjaev Petra Shih Jessica Yu Jake C Russell Daniel G Chica | 2023/10/27 |
Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals | Journal of Chemical Theory and Computation | Jo S Kurian Hong-Zhou Ye Ankit Mahajan Timothy C Berkelbach Sandeep Sharma | 2023/12/19 |
Conductivity of an electron coupled to anharmonic phonons: Quantum-classical simulations and comparison of approximations | Physical Review B | Jonathan H Fetherolf Petra Shih Timothy C Berkelbach | 2023/2/16 |
Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations | The Journal of Physical Chemistry A | Sibali Debnath Verena A Neufeld Leif D Jacobson Benjamin Rudshteyn John L Weber | 2023/10/25 |
Co-Authors
