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Timothy Berkelbach
Timothy Berkelbach
Columbia University, Flatiron Institute
在 columbia.edu 的电子邮件经过验证 - 首页
标题
引用次数
年份
Periodic Local Coupled-Cluster Theory for Insulators and Metals
HZ Ye, TC Berkelbach
arXiv preprint arXiv:2407.11258, 2024
2024
Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics
X Zhang, C Li, HZ Ye, TC Berkelbach, GK Chan
The Journal of Chemical Physics 161 (1), 2024
12024
Theory of acoustic polarons in the two-dimensional SSH model applied to the layered superatomic semiconductor Re6Se8Cl2
P Shih, TC Berkelbach
The Journal of Chemical Physics 160 (20), 2024
2024
Reaction Rate Theory for Electric Field Catalysis in Solution
S Kundu, TC Berkelbach
arXiv preprint arXiv:2404.01455, 2024
2024
Optical properties of defects in solids via quantum embedding with good active space orbitals
BTG Lau, B Busemeyer, TC Berkelbach
The Journal of Physical Chemistry C 128 (7), 2959-2966, 2024
42024
Nonperturbative Simulation of Anharmonic Rattler Dynamics in Type-I Clathrates with Vibrational Dynamical Mean-Field Theory
D Jasrasaria, TC Berkelbach
arXiv preprint arXiv:2402.08087, 2024
2024
Performance of periodic EOM-CCSD for bandgaps of inorganic semiconductors and insulators
EA Vo, X Wang, TC Berkelbach
The Journal of Chemical Physics 160 (4), 2024
12024
Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory
HZ Ye, TC Berkelbach
Faraday Discussions, 2024
2*2024
Ligand field design enables quantum manipulation of spins in Ni 2+ complexes
MK Wojnar, K Kundu, A Kairalapova, X Wang, A Ozarowski, ...
Chemical Science 15 (4), 1374-1383, 2024
32024
Toward linear scaling auxiliary-field quantum monte carlo with local natural orbitals
JS Kurian, HZ Ye, A Mahajan, TC Berkelbach, S Sharma
Journal of Chemical Theory and Computation 20 (1), 134-142, 2023
42023
Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals
HK Tran, TC Berkelbach
The Journal of Chemical Physics 159 (19), 2023
22023
Can spin-component scaled MP2 achieve kJ/mol accuracy for cohesive energies of molecular crystals?
YH Liang, HZ Ye, TC Berkelbach
The Journal of Physical Chemistry Letters 14 (46), 10435-10441, 2023
12023
Interplay between Local Moment and Itinerant Magnetism in the Layered Metallic Antiferromagnet TaFe1.14Te3
SY Han, EJ Telford, AK Kundu, SJ Bintrim, S Turkel, RA Wiscons, ...
Nano Letters 23 (22), 10449-10457, 2023
12023
Highly accurate electronic structure of metallic solids from coupled-cluster theory with nonperturbative triple excitations
VA Neufeld, TC Berkelbach
Physical Review Letters 131 (18), 186402, 2023
92023
Room-temperature wavelike exciton transport in a van der Waals superatomic semiconductor
JA Tulyagankhodjaev, P Shih, J Yu, JC Russell, DG Chica, ME Reynoso, ...
Science 382 (6669), 438-442, 2023
82023
Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations
S Debnath, VA Neufeld, LD Jacobson, B Rudshteyn, JL Weber, ...
The Journal of Physical Chemistry A 127 (44), 9178-9184, 2023
42023
Ab initio surface chemistry with chemical accuracy
HZ Ye, TC Berkelbach
arXiv preprint arXiv:2309.14640, 2023
22023
Ab initio quantum many-body description of superconducting trends in the cuprates
ZH Cui, J Yang, J Tölle, HZ Ye, H Zhai, R Kim, X Zhang, L Lin, ...
arXiv preprint arXiv:2306.16561, 2023
42023
Mobile Trions in Electrically Tunable 2D Hybrid Perovskites
JD Ziegler, Y Cho, S Terres, M Menahem, T Taniguchi, K Watanabe, ...
Advanced Materials 35 (18), 2210221, 2023
12023
Understanding and eliminating spurious modes in variational Monte Carlo using collective variables
H Zhang, RJ Webber, M Lindsey, TC Berkelbach, J Weare
Physical Review Research 5 (2), 023101, 2023
52023
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