Seeking a quantum advantage with trapped-ion quantum simulations of condensed-phase chemical dynamics.

Autor: Kang M; Duke Quantum Center, Duke University, Durham, NC, USA. mingyu.kang@duke.edu.; Department of Physics, Duke University, Durham, NC, USA. mingyu.kang@duke.edu., Nuomin H; Department of Chemistry, Duke University, Durham, NC, USA., Chowdhury SN; Department of Chemistry, Duke University, Durham, NC, USA., Yuly JL; Lewis-Sigler Institute for Integrative Genomics, Princeton University, Princeton, NJ, USA., Sun K; Duke Quantum Center, Duke University, Durham, NC, USA.; Department of Physics, Duke University, Durham, NC, USA., Whitlow J; Duke Quantum Center, Duke University, Durham, NC, USA.; Department of Electrical and Computer Engineering, Duke University, Durham, NC, USA., Valdiviezo J; Kenneth S. Pitzer Theory Center, University of California, Berkeley, CA, USA.; Department of Chemistry, University of California, Berkeley, CA, USA.; Departamento de Ciencias, Sección Química, Pontificia Universidad Católica del Perú, Lima, Peru., Zhang Z; Department of Chemistry, Duke University, Durham, NC, USA., Zhang P; Department of Chemistry, Duke University, Durham, NC, USA., Beratan DN; Department of Physics, Duke University, Durham, NC, USA. david.beratan@duke.edu.; Department of Chemistry, Duke University, Durham, NC, USA. david.beratan@duke.edu.; Department of Biochemistry, Duke University, Durham, NC, USA. david.beratan@duke.edu., Brown KR; Duke Quantum Center, Duke University, Durham, NC, USA. ken.brown@duke.edu.; Department of Physics, Duke University, Durham, NC, USA. ken.brown@duke.edu.; Department of Chemistry, Duke University, Durham, NC, USA. ken.brown@duke.edu.; Department of Electrical and Computer Engineering, Duke University, Durham, NC, USA. ken.brown@duke.edu.
Jazyk: angličtina
Zdroj: Nature reviews. Chemistry [Nat Rev Chem] 2024 May; Vol. 8 (5), pp. 340-358. Date of Electronic Publication: 2024 Apr 19.
DOI: 10.1038/s41570-024-00595-1
Abstrakt: Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond the reach of current classical-digital simulation. To identify a 'quantum advantage' for these simulations, performance analysis of both analog-quantum simulation on noisy hardware and classical-digital algorithms is needed. In this Review, we make a comparison between a noisy analog trapped-ion simulator and a few choice classical-digital methods on simulating the dynamics of a model molecular Hamiltonian with linear vibronic coupling. We describe several simple Hamiltonians that are commonly used to model molecular systems, which can be simulated with existing or emerging trapped-ion hardware. These Hamiltonians may serve as stepping stones towards the use of trapped-ion simulators for systems beyond the reach of classical-digital methods. Finally, we identify dynamical regimes in which classical-digital simulations seem to have the weakest performance with respect to analog-quantum simulations. These regimes may provide the lowest hanging fruit to make the most of potential quantum advantages.
(© 2024. Springer Nature Limited.)
Databáze: MEDLINE
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