James Shee
Affiliations: | 2014- | Chemistry | Columbia University, New York, NY |
| 2023- | Rice University, Houston, TX |
Website:
https://profiles.rice.edu/faculty/james-sheeGoogle:
"James Shee"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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| Danilov D, Ganoe B, Munyi M, et al. (2025) Capturing Strong Correlation in Molecules with Phaseless Auxiliary-Field Quantum Monte Carlo Using Generalized Hartree-Fock Trial Wave Functions. Journal of Chemical Theory and Computation. 21: 1136-1152 |
| Chung HTK, Schramm TK, Head-Gordon M, et al. (2025) Regioisomeric Engineering for Multicharge and Spin Stabilization in Two-Electron Organic Catholytes. Journal of the American Chemical Society |
| Alavi A, Allen M, Atalar K, et al. (2024) Stochastic and low-scaling techniques: general discussion. Faraday Discussions |
| Abraham V, Atalar K, Berard KO, et al. (2024) Novel perturbative and variational methods for stronger correlations: general discussion. Faraday Discussions |
| Motta M, Sung KJ, Shee J. (2024) Quantum Algorithms for the Variational Optimization of Correlated Electronic States with Stochastic Reconfiguration and the Linear Method. The Journal of Physical Chemistry. A. 128: 8762-8776 |
| Ganoe B, Shee J. (2024) On the notion of strong correlation in electronic structure theory. Faraday Discussions |
| 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 |