TY - JOUR

T1 - QmeQ 1.0: An open-source Python package for calculations of transport through quantum dot devices

AU - Kiršanskas, Gediminas

AU - Pedersen, Jonas Nyvold

AU - Karlström, Olov

AU - Leijnse, Martin Christian

AU - Wacker, Andreas

PY - 2017

Y1 - 2017

N2 - QmeQ is an open-source Python package for numerical modeling of transport through quantum dot devices with strong electron–electron interactions using various approximate master equation approaches. The package provides a framework for calculating stationary particle or energy currents driven by differences in chemical potentials or temperatures between the leads which are tunnel coupled to the quantum dots. The electronic structures of the quantum dots are described by their single-particle states and the Coulomb matrix elements between the states. When transport is treated perturbatively to lowest order in the tunneling couplings, the possible approaches are Pauli (classical), first-order Redfield, and firs-torder von Neumann master equations, and a particular form of the Lindblad equation. When all processes involving two-particle excitations in the leads are of interest, the second-order von Neumann approach can be applied. All these approaches are implemented in QmeQ. We here give an overview of the basic structure of the package, give examples of transport calculations, and outline the range of applicability of the different approximate approaches.

AB - QmeQ is an open-source Python package for numerical modeling of transport through quantum dot devices with strong electron–electron interactions using various approximate master equation approaches. The package provides a framework for calculating stationary particle or energy currents driven by differences in chemical potentials or temperatures between the leads which are tunnel coupled to the quantum dots. The electronic structures of the quantum dots are described by their single-particle states and the Coulomb matrix elements between the states. When transport is treated perturbatively to lowest order in the tunneling couplings, the possible approaches are Pauli (classical), first-order Redfield, and firs-torder von Neumann master equations, and a particular form of the Lindblad equation. When all processes involving two-particle excitations in the leads are of interest, the second-order von Neumann approach can be applied. All these approaches are implemented in QmeQ. We here give an overview of the basic structure of the package, give examples of transport calculations, and outline the range of applicability of the different approximate approaches.

U2 - 10.1016/j.cpc.2017.07.024

DO - 10.1016/j.cpc.2017.07.024

M3 - Journal article

VL - 221

SP - 317

EP - 342

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

ER -