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.