Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

Tutorials for the sisl-TBtrans-TranSiesta suite

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory

An open-source C++ software for efficient nanoscale quantum transport simulations

Green's functions quantum transport solver based on ab-initio physical models

Fortran code for performing Landauer NEGF calculations using advanced electronic structure methods particularly parametric 2-RDM (NEGF-RDM) and multi-configuration pair density functional theory (NEGF-MCPDFT).

Modular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies

Electronic transport of devices with random defects and inelastic scattering.

Non Equillibrium Green's Functions (NEGF) solver of the atomic linear chain for educational purposes.

Fortran code for performing Landauer NEGF calculations using advanced electronic structure methods particularly parametric 2-RDM (NEGF-RDM) and multi-configuration pair density functional theory (NEGF-PDFT).

Provides tools for carrying out time-dependent transport calculations within the framework of nonequilibrium Greens function theory. Usecases are nanoelectronic device simulation during strong-field excitation. Compatible with TD-DFT. The paper can be found here: https://doi.org/10.1016/j.cpc.2026.110087