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Quantum-classical auxiliary field quantum Monte Carlo with matchgate shadows on trapped ion quantum computers

Luning Zhao*, Joshua J. Goings, Willie Aboumrad, Andrew Arrasmith, Lazaro Calderin, Spencer Churchill, Dor Gabay, Thea Harvey-Brown, Melanie Hiles et al.

Arseny Kovyrshin, Lars Tornberg, and Anders Broo

Jeff R. Hammond

Zohim Chandani, Pradnya Khalate, and Elica Kyoseva

Yi-Ting Chen, Eric M. Kessler, Cedric Yen-Yu Lin, Gandhi Ramu, and Ryan Shaffer

Michael Brett, Benchen Huang, Maxime R. Hugues, and Tyler Y. Takeshita

Magda Kaja, Matthew Keesan, Karolina Kulesz, Andrii Maksymov, Mei Maruo, Mauricio Muñoz, Bas Nijholt, Rebekah Schiller, Yvette de Sereville, Amy Smidutz, Felix Tripier, Grace Yao, Trishal Zaveri, Coleman Collins, Martin Roetteler, and Evgeny Epifanovsky

  • IonQ Inc, College Park, Maryland 20740, USA

  • NVIDIA Helsinki Oy, Porkkalankatu 1, Helsinki 00180, Finland

  • AWS Quantum Technologies, Seattle, Washington 98121, USA

  • AWS Worldwide Specialist Organization, Seattle, Washington 98170, USA

  • *Contact author: zhao@ionq.co

Selecting Optimal Unrestricted Hartree–Fock Trial Wave Functions for Phaseless Auxiliary-Field Quantum Monte Carlo: Accuracy and Limitations in Modeling Three Iron–Sulfur Clusters

Don Danilov, Brad Ganoe, Leon Otis, Zhi Gong, Zixiang Lu, and James Shee

Journal of Chemical Theory and Computation 22 8274 (2026)

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