James Shee
Affiliations: | 2014- | Chemistry | Columbia University, New York, NY |
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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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| 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 |
| Shee J, Loipersberger M, Rettig A, et al. (2021) Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost. The Journal of Physical Chemistry Letters. 12: 12084-12097 |
| Shee J, Loipersberger M, Hait D, et al. (2021) Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition. The Journal of Chemical Physics. 154: 194109 |
| Yoneda Y, Mora SJ, Shee J, et al. (2021) Electron-Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer. Journal of the American Chemical Society |
| Weber JL, Churchill EM, Jockusch S, et al. (2020) prediction of annihilators for triplet-triplet annihilation upconversion auxiliary-field quantum Monte Carlo. Chemical Science. 12: 1068-1079 |
| Upadhyay S, Dumi A, Shee J, et al. (2020) The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions. The Journal of Chemical Physics. 153: 224118 |
| Fallon KJ, Churchill EM, Sanders SN, et al. (2020) Molecular Engineering of Chromophores to Enable Triplet-Triplet Annihilation Upconversion. Journal of the American Chemical Society |
| Shee J, Head-Gordon M. (2020) Predicting excitation energies of twisted intramolecular charge-transfer states with time-dependent density functional theory: Comparison with experimental measurements in the gas-phase and solvents ranging from hexanes to acetonitrile. Journal of Chemical Theory and Computation |
| Kumar M, Shee J, Rudshteyn B, et al. (2020) Multiple Stable Isoprene-Ozone Complexes Reveal Complex Entrance Channel Dynamics in the Isoprene + Ozone Reaction. Journal of the American Chemical Society |