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 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 \(J\)) 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.