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J

James Shee

Rice University

22H指数
84论文数
1.4K被引数
收录论文 35
发表时间
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Templated Synthesis of Heterobimetallic Nd─Co Clusters模板法合成异双金属Nd─Co簇
errAngewandte Chemie-International Edition
IF16.9
err2026-08-28
err0
PREAI
errHong-Lei Xu; Devesh Awasthi; Don Danilov; Alejandro Fuentes Beltran; James Shee; Raúl Hernández Sánchez
err分享
err收藏
The Curious Case of Dual Emission in 9; 10-Bis(phenylethynyl)anthracene9,10-双(苯乙炔基)蒽中奇异的二色发射现象
errJournal of the American Chemical Society
IF15.6
err2026-04-04
err0
errOAAI
errJakub K. Sowa; Colette M. Sullivan; Leon Otis; Benjamin J. G. Rousseau; Jussi Isokuortti; James Shee; Peter J. Rossky; Lea Nienhaus
err分享
err收藏
Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes评估多组态试探波函数在3d过渡金属配合物上实现精确无相位辅助场量子蒙特卡洛的方法
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-02
err0
PREAI
errHung T. Vuong; Ankit Mahajan; John L. Weber; James Shee; David R. Reichman; Richard A. Friesner
err分享
err收藏
Noncovalent Interaction Energies with Phaseless Auxiliary-Field Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errAwasthi, Devesh; Otis, Leon; Huang, Emily; Shee, James
err分享
err收藏
Enhancing the Accuracy and Efficiency of Sample-Based Quantum Diagonalization with Phaseless Auxiliary-Field Quantum Monte Carlo提升基于采样的量子对角化方法在无相位辅助场量子蒙特卡洛中的准确性与效率
errJournal of Chemical Theory and Computation
IF5.5
err2025-11-03
err0
PREAI
errDon Danilov; Javier Robledo-Moreno; Kevin J. Sung; Mario Motta; James Shee
err分享
err收藏
A Scalable Route to First-Order Response Properties with Correlated Sampling Phaseless Auxiliary-Field Quantum Monte Carlo一种可扩展的计算相关采样无相位辅助场量子蒙特卡洛一阶响应性质的方法
errThe Journal of Physical Chemistry Letters
IF0
err2025-10-24
err0
PREAI
errLeon Otis; Saisrinivas Gudivada; Marvin Friede; James Shee
err分享
err收藏
Capturing Strong Correlation in Molecules with Phaseless Auxiliary-Field Quantum Monte Carlo Using Generalized Hartree-Fock Trial Wave Functions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-16
err1
PREAI
errDanilov, Don; Ganoe, Brad; Munyi, Mark; Shee, James
err分享
err收藏
Novel perturbative and variational methods for stronger correlations: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAbraham, Vibin; Atalar, Kemal; Berard, Kenneth O.; Booth, George H.; Burton, Hugh G. A.; Chan, Garnet K. -L.; Evangelista, Francesco A.; Filip, Maria-Andreea; Giner, Emmanuel; Gunasekera, Alexander; Knowles, Peter J.; Lepetit, Marie-Bernadette; Liao, Ke; Loos, Pierre-Francois; Magnusson, Erika; Mayhall, Nicholas J.; Mejuto-Zaera, Carlos; Neese, Frank; Neufeld, Verena A.; Ntola, Pinkie; Plasser, Felix; Ravindran, Visagan; Schilling, Christian; Scuseria, Gustavo; Shee, James; Shi, Benjamin X.; Tew, David P.; Thom, Alex J. W.; Wang, Zikuan; Zgid, Dominika
err分享
err收藏
Stochastic and low-scaling techniques: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAlavi, 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.
err分享
err收藏
On the notion of strong correlation in electronic structure theory
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err1
PREAI
errGanoe, Brad; Shee, James
err分享
err收藏
Optimizing the regularization in size-consistent second-order Brillouin-Wigner perturbation theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-07
err6
errOAAI
errCarter-Fenk, Kevin; Shee, James; Head-Gordon, Martin
err分享
err收藏
Toward Benchmark-Quality Ab Initio Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-01
err16
errOAAI
errNeugebauer, Hagen; Vuong, Hung T.; Weber, John L.; Friesner, Richard A.; Shee, James; Hansen, Andreas
err分享
err收藏
Indolo[2,3-b]quinoxaline as a Low Reduction Potential and High Stability Anolyte Scaffold for Nonaqueous Redox Flow Batteries
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-08-16
err5
errOAAI
errZhang, Wenhao; Walser-Kuntz, Ryan; Tracy, Jacob S.; Schramm, Tim K.; Shee, James; Head-Gordon, Martin; Chen, Gan; Helms, Brett A.; Sanford, Melanie S.; Toste, F. Dean
err分享
err收藏
Say NO to Optimization: A Nonorthogonal Quantum Eigensolver
errPRX QUANTUM
IF11
err2023-07-17
err13
errOAAI
errBaek, Unpil; Hait, Diptarka; Shee, James; Leimkuhler, Oskar; Huggins, William J.; Stetina, Torin F.; Head-Gordon, Martin; Whaley, K. Birgitta
err分享
err收藏
On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-10
err12
errOAAI
errShee, James; Weber, John L.; Reichman, David R.; Friesner, Richard A.; Zhang, Shiwei
err分享
err收藏
Caught in the act: real-time observation of the solvent response that promotes excited-state proton transfer in pyranine
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err6
errOAAI
errHoberg, Claudius; Talbot, Justin J.; Shee, James; Ockelmann, Thorsten; Das Mahanta, Debasish; Novelli, Fabio; Head-Gordon, Martin; Havenith, Martina
err分享
err收藏
Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err6
errOAAI
errMotta, Mario; Sung, Kevin J.; Whaley, K. Birgitta; Head-Gordon, Martin; Shee, James
err分享
err收藏
Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Moller-Plesset Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-02
err18
errOAAI
errRettig, Adam; Shee, James; Lee, Joonho; Head-Gordon, Martin
err分享
err收藏
A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-05-04
err12
errOAAI
errWeber, John L.; Vuong, Hung; Devlaminck, Pierre A.; Shee, James; Lee, Joonho; Reichman, David R.; Friesner, Richard A.
err分享
err收藏
Calculation of Metallocene Ionization Potentials via Auxiliary FieldQuantum Monte Carlo: Toward Benchmark Quantum Chemistry forTransition Metals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-04-04
err24
errOAAI
errRudshteyn, Benjamin; Weber, John L.; Coskun, Dilek; Devlaminck, Pierre A.; Zhang, Shiwei; Reichman, David R.; Shee, James; Friesner, Richard A.
err分享
err收藏

研究方向

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合作学者
合作期刊
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F. Dean Toste
H 指数: 141 · 论文数: 801
F
Frank Neese
H 指数: 141 · 论文数: 978
M
Martin Head‐Gordon
H 指数: 130 · 论文数: 1.0K
G
Gustavo E. Scuseria
H 指数: 125 · 论文数: 748
G
Graham R. Fleming
H 指数: 120 · 论文数: 667
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