James Shee

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Papers (9)

1. Selecting optimal unrestricted Hartree-Fock trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo: Accuracy and limitations in modeling three iron-sulfur clusters physics.chem-ph · 2026 · author #6
2. Can phaseless auxiliary-field quantum Monte Carlo with broken symmetry trials describe iron-sulfur clusters? physics.chem-ph · 2026 · author #3
3. ffsim: Faster simulation of fermionic quantum circuits quant-ph · 2026 · author #12
4. On Achieving High Accuracy in Quantum Chemical Calculations of 3d Transition Metal Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules physics.chem-ph · 2019 · author #1
5. Efficient ab initio auxiliary-field quantum Monte Carlo calculations in Gaussian bases via low-rank tensor decomposition physics.comp-ph · 2018 · author #2
6. Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods physics.chem-ph · 2018 · author #2
7. Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units physics.comp-ph · 2018 · author #1
8. Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo physics.chem-ph · 2017 · author #1
9. Classical Mechanics in Hilbert Space: Path Integral Formulation, and a Quantum Correction physics.class-ph · 2015 · author #1

Mentions

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Frequent Coauthors

• Shiwei Zhang 4 shared papers
• David R. Reichman 3 shared papers
• Richard A. Friesner 3 shared papers
• Evan J. Arthur 2 shared papers
• Garnet Kin-Lic Chan 2 shared papers
• Mario Motta 2 shared papers
• Abdullah Ash Saki 1 shared papers
• Bartholomew Andrews 1 shared papers
• Benjamin Rudshteyn 1 shared papers
• Brad Ganoe 1 shared papers
• Brenda M. Rubenstein 1 shared papers
• Can Ataca 1 shared papers
• David Omanovic 1 shared papers
• Don Danilov 1 shared papers
• Eirik F. Kj{\o}nstad 1 shared papers
• Esra Ayantuna 1 shared papers
• Haimeng Zhang 1 shared papers
• Hongxia Hao 1 shared papers
• Huanchen Zhai 1 shared papers
• Inho Choi 1 shared papers