# Kwant: a software package for quantum transport

@article{Groth2014KwantAS,
title={Kwant: a software package for quantum transport},
author={C. Groth and M. Wimmer and A. Akhmerov and X. Waintal},
journal={New Journal of Physics},
year={2014},
volume={16},
pages={063065}
}
Kwant is a Python package for numerical quantum transport calculations. It aims to be a user-friendly, universal, and high-performance toolbox for the simulation of physical systems of any dimensionality and geometry that can be described by a tight-binding model. Kwant has been designed such that the natural concepts of the theory of quantum transport (lattices, symmetries, electrodes, orbital/spin/electron-hole degrees of freedom) are exposed in a simple and transparent way. Defining a new… Expand
523 Citations

#### Figures from this paper

QmeQ 1.0: An open-source Python package for calculations of transport through quantum dot devices
• Physics, Computer Science
• Comput. Phys. Commun.
• 2017
An overview of the basic structure of the QmeQ package is given, examples of transport calculations are given, and the range of applicability of the different approximate approaches are outlined. Expand
Pushing the limit of quantum transport simulations
• Physics
• 2019
Simulations of quantum transport in coherent conductors have evolved into mature techniques that are used in fields of physics ranging from electrical engineering to quantum nanoelectronics andExpand
Quantum Transport Properties of Two-Dimensional Quantum Lattices under Synthetic Magnetic Fields
• Physics
• 2019
Motivated by recent experimental progress, we study the quantum transport properties of two-dimensional electron gases under high perpendicular magnetic fields. We use a simple tightbinding model toExpand
Linear scaling quantum transport methodologies
In recent years, the role of predictive computational modeling has become a cornerstone for the study of fundamental electronic, optical, and thermal properties in complex forms of condensed matter,Expand
KITE: high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures
• Materials Science, Medicine
• Royal Society Open Science
• 2020
We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular andExpand
Thermoelectric transport calculations using the Landauer approach, ballistic quantum transport simulations, and the Buttiker approximation
• Chemistry
• 2017
Abstract An implementation of the Landauer approach utilizing the ballistic quantum transport package Kwant to calculate thermoelectric transport properties is presented. Incoherent scattering isExpand
Electronic properties of α − 𝒯3 quantum dots in magnetic fields
• Physics
• 2020
We address the electronic properties of quantum dots in the two-dimensional $\alpha-\mathcal{T}_3$ lattice when subjected to a perpendicular magnetic field. Implementing an infinite mass boundaryExpand
GPUQT: An efficient linear-scaling quantum transport code fully implemented on graphics processing units
• Computer Science, Physics
• Comput. Phys. Commun.
• 2018
Using GPUQT, a quantum transport code fully implemented on graphics processing units, one can obtain intrinsic electronic transport properties of large systems described by a real-space tight-binding Hamiltonian together with one or more types of disorder. Expand
Quantum dot–ring nanostructure — A comparison of different approaches
• Physics
• 2016
It has been shown recently that a nanostructure composed of a quantum dot (QD) surrounded by a quantum ring (QR) possesses a set of very unique characteristics that make it a good candidate forExpand
GOLLUM:a next-generation simulation tool for electron, thermal and spin transport
We have developed an efficient simulation tool 'GOLLUM' for the computation of electrical, spin and thermal transport characteristics of complex nanostructures. The new multi-scale, multi-terminalExpand

#### References

SHOWING 1-10 OF 80 REFERENCES
Spin and molecular electronics in atomically generated orbital landscapes
• Physics
• 2006
Ab initio computational methods for electronic transport in nanoscaled systems are an invaluable tool for the design of quantum devices. We have developed a flexible and efficient algorithm forExpand
Optimal block-tridiagonalization of matrices for coherent charge transport
• Computer Science, Mathematics
• J. Comput. Phys.
• 2009
A matrix reordering algorithm based on graph partitioning techniques that yields the optimal block-tridiagonal form for quantum transport, and can be the foundation for a generic quantum transport code, applicable to arbitrary tight-binding systems. Expand
Efficient implementation of the nonequilibrium Green function method for electronic transport calculations
• Physics
• 2010
An efficient implementation of the nonequilibrium Green function method combined with the densityfunctional theory, using localized pseudoatomic orbitals, is presented for electronic transportExpand
Density-functional method for nonequilibrium electron transport
• Physics
• 2002
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and withExpand
Knitting algorithm for calculating Green functions in quantum systems
• Physics
• 2008
We propose a fast and versatile algorithm to calculate local and transport properties such as conductance, shot noise, local density of state or local currents in mesoscopic quantum systems. WithinExpand
nextnano: General Purpose 3-D Simulations
nextnano is a semiconductor nanodevice simulation tool that has been developed for predicting and understanding a wide range of electronic and optical properties of semiconductor nanostructures. TheExpand
Quantum calculations of the carrier mobility: Methodology, Matthiessen's rule, and comparison with semi-classical approaches
• Physics
• 2014
We discuss carrier mobilities in the quantum Non-Equilibrium Green's Functions (NEGF) framework. We introduce a method for the extraction of the mobility that is free from contact resistanceExpand
Electronic spin transport and spin precession in single graphene layers at room temperature
• Physics, Medicine
• Nature
• 2007
The observation of spin transport, as well as Larmor spin precession, over micrometre-scale distances in single graphene layers is reported, indicating that spin coherence extends underneath all of the contacts. Expand
Conductivity of the disordered linear chain
• Physics
• 1981
The authors develop a fast algorithm for evaluating the Kubo formula for the conductivity of a linear chain, and use it to study the dependence of the conductivity as a function of imaginaryExpand
Helical liquids and Majorana bound states in quantum wires.
• Physics, Medicine
• Physical review letters
• 2010
It is argued that zero-energy Majorana bound states are formed in various situations when such wires are situated in proximity to a conventional s-wave superconductor when the external magnetic field, the superconducting gap, or the chemical potential vary along the wire. Expand