Optimal control of coupled quantum systems based on the first-order Magnus expansion: Application to multiple dipole-dipole-coupled molecular rotors

Ma, Andrew; Magann, Alicia B.; Ho, Tak-San; Rabitz, Herschel

doi:10.1103/physreva.102.013115

Optimal control of coupled quantum systems based on the first-order Magnus expansion: Application to multiple dipole-dipole-coupled molecular rotors

Journal Article · Thu Jul 30 00:00:00 EDT 2020 · Physical Review A

DOI:https://doi.org/10.1103/physreva.102.013115· OSTI ID:1800043

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Princeton Univ., NJ (United States); OSTI
Princeton Univ., NJ (United States)

This paper presents a method for performing approximate optimal control simulations for quantum systems with multiple coupled degrees of freedom. In this work, the time evolution is simulated using the first-order Magnus expansion in the interaction picture, where the couplings between different degrees of freedom are treated as the perturbation. A numerical implementation procedure is presented that leverages upon pairwise couplings and the separability of the zeroth-order time evolution operator to achieve a reduced computational cost, which is analyzed with respect to the number of degrees of freedom. The formulation is compatible with gradient-free methods to optimize the control field, and a stochastic hill climbing algorithm is adopted for this purpose. As illustrations, optimal control simulations are performed for systems of two and three dipole-dipole-coupled molecular rotors under the influence of a control field. For the two-rotor system, the field is optimized to achieve either orientation or entanglement objectives. For the three-rotor system, the field is optimized either to orient all three rotors in the same direction or to orient one rotor in a particular direction while the other two rotors point in the opposite direction.

View Accepted Manuscript (DOE)

Research Organization:: Princeton Univ., NJ (United States); Krell Institute, Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); US Army Research Office (ARO)

Grant/Contract Number:: FG02-02ER15344; FG02-97ER25308

OSTI ID:: 1800043

Journal Information:: Physical Review A, Journal Name: Physical Review A Journal Issue: 1 Vol. 102; ISSN 2469-9926

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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