Semiempirical Extended Tight-Binding Program Package

DFTB+ general package for performing fast atomistic simulations

WannierTools: An open-source software package for novel topological materials. Full documentation:

CREST - A program for the automated exploration of low-energy molecular chemical space.

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

Scientific Python package for tight-binding calculations in solid state physics

Light-weight tight-binding framework

Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.

Python API for the extended tight binding program package

Efficient And Fully Differentiable Extended Tight-Binding

DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.

A tool for calculating topological invariants.

a python package for computing magnetic interaction parameters

Simulation of quantum systems on a lattice

User-friendly open-source software to design and solve tight-binding models, addressing electronic properties, topology, interactions, non-collinear magnetism, and unconventional superconductivity, among others.

Tight-binding package written in Julia

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

Package to perform tight binding calculation in tight binding models, with a friendly user interface

A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization

A tool for creating and manipulating tight-binding models.

No description provided.

Python library to compute different properties of tight binding models

The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and transport modeling based on the non-equilibrium Green's function (NEGF) method. The code can deal with both finite and periodic system translated in one, two or three dimensions.

Tight-binding parameter fitting package (TBFIT) for Slater-Koster method

Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum

Basic programs for generating Slater-Koster files for the DFTB-method

Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.

Tracking citations of atomistic simulation engines

Python tools for mean-field Hubbard models

ASE calculator wrapper for g-xTB