Simulated Quantum Computation of Non-Equilibrium Charge Transport in a Cyclic Molecule

Lindblad master equation (LME) for the density operator is applied to examine electron transport through a molecular junction with a ring component having two pathways for an electron propagation. Here the concept of quantum interference is addressed to check whether this phenomenon may influence th...

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Bibliographic Details
Published inPhysics of particles and nuclei letters Vol. 21; no. 4; pp. 607 - 610
Main Authors Syurakshin, A. V., Saleev, V. A., Yushankhai, V. Yu
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 2024
Springer Nature B.V
Subjects
Algorithms
Benzene
Charge transport
Coupling (molecular)
Electric currents
Electron transport
Particle and Nuclear Physics
Physics
Physics and Astronomy
Physics of Elementary Particles and Atomic Nuclei. Theory
Quantum computing
Source code
Source programs
Transport phenomena
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Summary:Lindblad master equation (LME) for the density operator is applied to examine electron transport through a molecular junction with a ring component having two pathways for an electron propagation. Here the concept of quantum interference is addressed to check whether this phenomenon may influence the electric current in a far-from-equilibrium regime. The existence of two modes of electric current flow with and without the occurrence of a circular current in the benzene ring is shown, depending on the value of coupling (hopping parameter ) between the molecule and electrodes. LME is solved with the use of the open-source program code LindbladMPO that simulate elements of quantum algorithm on a classical computer.
ISSN:1547-4771
1531-8567
DOI:10.1134/S1547477124700766