James Shee
Affiliations: | 2014- | Chemistry | Columbia University, New York, NY |
| 2023- | Rice University, Houston, TX |
Website:
https://profiles.rice.edu/faculty/james-sheeGoogle:
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Parents
Sign in to add mentor| Andrew B. Bocarsly | research assistant | 2011-2011 | Princeton |
| Richard A. Friesner | grad student | 2014-2019 | Columbia |
| David R. Reichman | grad student | 2014-2019 | Columbia |
| Martin Head-Gordon | post-doc | 2019- | UC Berkeley |
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Publications
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| Carter-Fenk K, Shee J, Head-Gordon M. (2023) Optimizing the regularization in size-consistent second-order Brillouin-Wigner perturbation theory. The Journal of Chemical Physics. 159 |
| Motta M, Sung KJ, Whaley KB, et al. (2023) Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure. Chemical Science. 14: 11213-11227 |
| Neugebauer H, Vuong HT, Weber JL, et al. (2023) Toward Benchmark-Quality Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC. Journal of Chemical Theory and Computation |
| Zhang W, Walser-Kuntz R, Tracy JS, et al. (2023) Indolo[2,3-]quinoxaline as a Low Reduction Potential and High Stability Anolyte Scaffold for Nonaqueous Redox Flow Batteries. Journal of the American Chemical Society. 145: 18877-18887 |
| Hoberg C, Talbot JJ, Shee J, et al. (2023) Caught in the act: real-time observation of the solvent response that promotes excited-state proton transfer in pyranine. Chemical Science. 14: 4048-4058 |
| Shee J, Weber JL, Reichman DR, et al. (2023) On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond. The Journal of Chemical Physics. 158: 140901 |
| Rettig A, Shee J, Lee J, et al. (2022) Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Møller-Plesset Theory. Journal of Chemical Theory and Computation |
| Arsenault EA, Guerra WD, Shee J, et al. (2022) Concerted Electron-Nuclear Motion in Proton-Coupled Electron Transfer-Driven Grotthuss-Type Proton Translocation. The Journal of Physical Chemistry Letters. 4479-4485 |
| Weber JL, Vuong H, Devlaminck PA, et al. (2022) A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation |
| Rudshteyn B, Weber JL, Coskun D, et al. (2022) Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals. Journal of Chemical Theory and Computation |