Exact Non-Markovian Quantum Dynamics on the NISQ Device Using Kraus Operators.
| Autor: | Seneviratne A; Department of Physics and Astronomy, George Mason University, 4400 University Drive, Fairfax, Virginia 22030, United States., Walters PL; Department of Chemistry and Biochemistry, George Mason University, 4400 University Drive, Fairfax, Virginia 22030, United States., Wang F; Department of Chemistry and Biochemistry, George Mason University, 4400 University Drive, Fairfax, Virginia 22030, United States.; Quantum Science and Engineering Center, George Mason University, 4400 University Drive, Fairfax, Virginia 22030, United States. |
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| Jazyk: | angličtina |
| Zdroj: | ACS omega [ACS Omega] 2024 Feb 15; Vol. 9 (8), pp. 9666-9675. Date of Electronic Publication: 2024 Feb 15 (Print Publication: 2024). |
| DOI: | 10.1021/acsomega.3c09720 |
| Abstrakt: | The theory of open quantum systems has many applications ranging from simulating quantum dynamics in condensed phases to better understanding quantum-enabled technologies. At the center of theoretical chemistry are the developments of methodologies and computational tools for simulating charge and excitation energy transfer in solutions, biomolecules, and molecular aggregates. As a variety of these processes display non-Markovian behavior, classical computer simulation can be challenging due to exponential scaling with existing methods. With quantum computers holding the promise of efficient quantum simulations, in this paper, we present a new quantum algorithm based on Kraus operators that capture the exact non-Markovian effect at a finite temperature. The implementation of the Kraus operators on the quantum machine uses a combination of singular value decomposition (SVD) and optimal Walsh operators that result in shallow circuits. We demonstrate the feasibility of the algorithm by simulating the spin-boson dynamics and the exciton transfer in the Fenna-Matthews-Olson (FMO) complex. The NISQ results show very good agreement with the exact ones. Competing Interests: The authors declare no competing financial interest. (© 2024 The Authors. Published by American Chemical Society.) |
| Databáze: | MEDLINE |
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