Timothy C. Berkelbach - Publications, H-index & Citations

Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals

IF5.5

2026-01-01

PREAI

Bystrom, Kyle; Berkelbach, Timothy C.

Simulating anharmonic vibrational polaritons beyond the long wavelength approximation

IF5.5

2025-03-01

OAAI

Liang, Yu Hsuan; Zhang, Xing; Chan, Garnet Kin-Lic; Berkelbach, Timothy C.; Ye, Hong-Zhou

Plasmon-Exciton Strong Coupling in Single-Molecule Junction Electroluminescence

IF3.1

2025-01-02

OAAI

Jasrasaria, Dipti; Mandal, Arkajit; Reichman, David R.; Berkelbach, Timothy C.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2024-12-04

PREAI

Paoletta, Angela L.; Hoffmann, Norah M.; Cheng, Daniel W.; York, Emma; Xu, Ding; Zhang, Boyuan; Delor, Milan; Berkelbach, Timothy C.; Venkataraman, Latha

Periodic Local Coupled-Cluster Theory for Insulators and Metals 绝缘子和金属的周期性局部耦合簇理论

Reaction Rate Theory for Electric Field Catalysis in Solution 溶液中电场催化的反应速率理论

IF5.5

2024-10-08

PREAI

Ye, Hong-Zhou; Berkelbach, Timothy C.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2024-09-05

PREAI

Kundu, Sohang; Berkelbach, Timothy C.

Nonperturbative simulation of anharmonic rattler dynamics in type-I clathrates with vibrational dynamical mean-field theory

PHYSICAL REVIEW B

IF3.7

2024-08-14

OAAI

Jasrasaria, Dipti; Berkelbach, Timothy C.

Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics 局部耦合簇理论的性能自动微分: 响应特性和从头算分子动力学

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

IF3.1

2024-07-01

PREAI

Zhang, Xing; Li, Chenghan; Ye, Hong-Zhou; Berkelbach, Timothy C.; Chan, Garnet Kin-Lic

Optical Properties of Defects in Solids via Quantum Embedding with Good Active Space Orbitals

IF3.1

2024-05-24

OAAI

Shih, Petra; Berkelbach, Timothy C.

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-02-13

OAAI

Lau, Bryan T. G.; Busemeyer, Brian; Berkelbach, Timothy C.

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

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

IF3.1

2024-01-24

OAAI

Vo, Ethan A.; Wang, Xiao; Berkelbach, Timothy C.

Ligand field design enables quantum manipulation of spins in Ni2+ complexes

IF3.1

2024-01-01

OAAI

Ye, Hong-Zhou; Berkelbach, Timothy C.

CHEMICAL SCIENCE

IF7.4

2024-01-01

OAAI

Wojnar, Michael K.; Kundu, Krishnendu; Kairalapova, Arailym; Wang, Xiaoling; Ozarowski, Andrew; Berkelbach, Timothy C.; Hill, Stephen; Freedman, Danna E.

Stochastic and low-scaling techniques: general discussion

Stochastic and low-scaling techniques/extended systems: general discussion

IF3.1

2024-01-01

PREAI

Alavi, Ali; Allen, Marcus; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Burton, Hugh G. A.; Chan, Garnet Kin-Lic; Craciunescu, Luca; Danilov, Don; Dobrautz, Werner; Evangelista, Francesco A.; Filip, Maria-Andreea; Giner, Emmanuel; Greene-Diniz, Gabriel; Gruneis, Andreas; Guo, Yang; Harsha, Gaurav; Ibrahim, Basil; Kapil, Venkat; Kats, Daniel; Knowles, Peter J.; Lepetit, Marie-Bernadette; Liao, Ke; Li Manni, Giovanni; Loos, Pierre-Francois; Magnusson, Erika; Marie, Antoine; Mejuto-Zaera, Carlos; Neese, Frank; Nejad, Arman; Neufeld, Verena A.; Pernal, Katarzyna; Plasser, Felix; Prentice, Andrew W.; Ravindran, Visagan; Rehman, Umatur; Reiher, Markus; Schilling, Christian; Scuseria, Gustavo; Shee, James; Shi, Benjamin X.; Szenes, Kalman; Tew, David P.; Thom, Alex J. W.; Wang, Zikuan; Zgid, Dominika; Zhu, Andrew; Zwijnenburg, Martijn A.

Correlation in extended systems: general discussion

IF3.1

2024-01-01

PREAI

Alavi, Ali; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Chen, Ji; Danilov, Don; Dobrautz, Werner; Evangelista, Francesco A.; Harsha, Gaurav; Kapil, Venkat; Liao, Ke; Loos, Pierre-Francois; Nandipati, Krishna Reddy; Plasser, Felix; Prentice, Andrew W.; Reiher, Markus; Rubenstein, Brenda; Shi, Benjamin Xu; Thom, Alex J. W.; Wang, Zikuan; Mejuto-Zaera, Carlos; Zgid, Dominika; Zwijnenburg, Martijn A.

Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals 具有局部自然轨道的线性缩放辅助场量子蒙特卡洛

IF3.1

2024-01-01

PREAI

Alavi, Ali; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Chan, Garnet Kin-Lic; Evangelista, Francesco A.; Goldzak, Tamar; Grueneis, Andreas; Harsha, Gaurav; Kapil, Venkat; Knowles, Peter; Lepetit, Marie-Bernadette; Liebert, Julia; Nejad, Arman; Neufeld, Verena A.; Novoa, Trinidad; Pernal, Katarzyna; Plasser, Felix; Rehman, Umatur; Shi, Benjamin X.; Tew, David P.; Wang, Zikuan; Mejuto-Zaera, Carlos; Zgid, Dominika; Zhu, Andrew; Zhu, Tianyu; Zwijnenburg, Martijn A.

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

IF5.5

2023-12-19

OAAI

Kurian, Jo S.; Ye, Hong-Zhou; Mahajan, Ankit; Berkelbach, Timothy C.; Sharma, Sandeep