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

• Published in: Physics 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
• Language: English
• 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
• DOI: 10.1134/S1547477124700766
• ISSN: 1547-4771

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.