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35 search results found

Semiempirical Extended Tight-Binding Program Package

Dftbplus ⭐ 294

DFTB+ general package for performing fast atomistic simulations

Wannier_tools ⭐ 232

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

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

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

Pybinding ⭐ 105

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

A tool for calculating topological invariants.

Xtb Python ⭐ 81

Python API for the extended tight binding program package

Quantica.jl ⭐ 63

Simulation of quantum systems on a lattice

Light-weight tight-binding framework

Python library to compute different properties of quantum tight binding models in a lattice

a python package for computing magnetic interaction parameters

Hoptb.jl ⭐ 40

Tight-binding package written in Julia

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

Tbmodels ⭐ 34

A tool for creating and manipulating tight-binding models.

Xtb_docs ⭐ 33

Quantum Lattice ⭐ 29

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.

Quantum Honeycomp ⭐ 28

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

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.

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

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

Python library to compute different properties of tight binding models

Python tools for mean-field Hubbard models

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

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

Atomistic Software ⭐ 14

Tracking citations of atomistic simulation engines

Simplequantum ⭐ 11

Tightbinding ⭐ 11

Semi-empirical tight-binding computation of the electronic structure of semiconductors

Honeytools ⭐ 9

Honeycomb flakes, sheets, ribbons, whatever. Made easy.

sTDA-xTB Hamiltonian for ground state

Tightbinder ⭐ 9

General purpose Slater-Koster tight-binding library for electronic structure calculations

Tightbindingtoolkit.jl ⭐ 8

Tools for general Tight Binding systems

Py.guanjihuan.com ⭐ 8

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

Tight-binding calculations in Mathematica

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1-35 of 35 search results

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