QmeQ 1.0 : An opensource Python package for calculations of transport through quantum dot devices
(2017) In Computer Physics Communications 221. p.317342 Abstract
QmeQ is an opensource Python package for numerical modeling of transport through quantum dot devices with strong electronelectron 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 singleparticle 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), firstorder Redfield, and firstorder von Neumann master... (More)
QmeQ is an opensource Python package for numerical modeling of transport through quantum dot devices with strong electronelectron 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 singleparticle 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), firstorder Redfield, and firstorder von Neumann master equations, and a particular form of the Lindblad equation. When all processes involving twoparticle excitations in the leads are of interest, the secondorder 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. Program summary: Program Title: QmeQ Program Files doi: http://dx.doi.org/10.17632/8687mrhgg9.1 Licensing provisions: BSD 2Clause. Programming language: Python External libraries: NumPy, SciPy, Cython Nature of problem: Calculation of stationary state currents through quantum dots tunnel coupled to leads. Solution method: Exact diagonalization of the quantum dot Hamiltonian for a given set of single particle states and Coulomb matrix elements. Numerical solution of the stationarystate master equation for a given approximate approach. Restrictions: Depending on the approximate approach the temperature needs to be sufficiently large compared to the coupling strength for the approach to be valid.
(Less)
 author
 Kirsanskas, Gediminas ^{LU} ; Pedersen, Jonas Nyvold ^{LU} ; Karlström, Olov ^{LU} ; Leijnse, Martin ^{LU} and Wacker, Andreas ^{LU}
 organization
 publishing date
 20170819
 type
 Contribution to journal
 publication status
 published
 subject
 keywords
 Andersontype model, Coulomb blockade, Open quantum systems, Python, Quantum dots
 in
 Computer Physics Communications
 volume
 221
 pages
 317  342
 publisher
 Elsevier
 external identifiers

 scopus:85028709688
 wos:000413376800026
 ISSN
 00104655
 DOI
 10.1016/j.cpc.2017.07.024
 language
 English
 LU publication?
 yes
 id
 84c96ac0a69148adbbe071a432878cc7
 alternative location
 https://arxiv.org/abs/1706.10104
 date added to LUP
 20170927 14:51:48
 date last changed
 20190319 03:40:05
@article{84c96ac0a69148adbbe071a432878cc7, abstract = {<p>QmeQ is an opensource Python package for numerical modeling of transport through quantum dot devices with strong electronelectron 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 singleparticle 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), firstorder Redfield, and firstorder von Neumann master equations, and a particular form of the Lindblad equation. When all processes involving twoparticle excitations in the leads are of interest, the secondorder 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. Program summary: Program Title: QmeQ Program Files doi: http://dx.doi.org/10.17632/8687mrhgg9.1 Licensing provisions: BSD 2Clause. Programming language: Python External libraries: NumPy, SciPy, Cython Nature of problem: Calculation of stationary state currents through quantum dots tunnel coupled to leads. Solution method: Exact diagonalization of the quantum dot Hamiltonian for a given set of single particle states and Coulomb matrix elements. Numerical solution of the stationarystate master equation for a given approximate approach. Restrictions: Depending on the approximate approach the temperature needs to be sufficiently large compared to the coupling strength for the approach to be valid.</p>}, author = {Kirsanskas, Gediminas and Pedersen, Jonas Nyvold and Karlström, Olov and Leijnse, Martin and Wacker, Andreas}, issn = {00104655}, keyword = {Andersontype model,Coulomb blockade,Open quantum systems,Python,Quantum dots}, language = {eng}, month = {08}, pages = {317342}, publisher = {Elsevier}, series = {Computer Physics Communications}, title = {QmeQ 1.0 : An opensource Python package for calculations of transport through quantum dot devices}, url = {http://dx.doi.org/10.1016/j.cpc.2017.07.024}, volume = {221}, year = {2017}, }