mailhexu/TB2J

a python package for computing magnetic interaction parameters

Language: Python - Size: 2.85 MB - Last synced: 1 day ago - Pushed: 1 day ago - Stars: 61 - Forks: 28

quanshengwu/wannier_tools

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

Language: Fortran - Size: 248 MB - Last synced: 1 day ago - Pushed: 1 day ago - Stars: 248 - Forks: 144

dftbplus/dftbplus

DFTB+ general package for performing fast atomistic simulations

Language: Fortran - Size: 27.3 MB - Last synced: 3 days ago - Pushed: 3 days ago - Stars: 308 - Forks: 160

pablosanjose/Quantica.jl

Simulation of quantum systems on a lattice

Language: Julia - Size: 21.8 MB - Last synced: 2 days ago - Pushed: 3 days ago - Stars: 65 - Forks: 8

deepmodeling/DeePTB

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

Language: Python - Size: 99.8 MB - Last synced: 10 days ago - Pushed: 11 days ago - Stars: 31 - Forks: 12

joselado/pyqula

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

Language: Python - Size: 87.2 MB - Last synced: 5 days ago - Pushed: 6 days ago - Stars: 65 - Forks: 25

grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

Language: Fortran - Size: 4.97 MB - Last synced: 8 days ago - Pushed: 9 days ago - Stars: 527 - Forks: 133

alejandrojuria/tightbinder

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

Language: Python - Size: 21.3 MB - Last synced: 3 days ago - Pushed: 4 months ago - Stars: 12 - Forks: 6

santoshkumarradha/pysktb

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

Language: Python - Size: 10.7 MB - Last synced: 8 days ago - Pushed: 8 months ago - Stars: 44 - Forks: 8

dean0x7d/pybinding

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

Language: C++ - Size: 1.89 MB - Last synced: 3 days ago - Pushed: 7 months ago - Stars: 182 - Forks: 67

jincao2013/wanpy

Wannier tight-binding framework

Language: Python - Size: 528 KB - Last synced: 13 days ago - Pushed: 13 days ago - Stars: 3 - Forks: 1

alejandrojuria/xatu

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

Language: C++ - Size: 19.2 MB - Last synced: 3 days ago - Pushed: 8 days ago - Stars: 9 - Forks: 5

srigas/topological_superconductivity

A repo containing code for TSC (topological superconductivity) simulations.

Language: Python - Size: 6.98 MB - Last synced: 16 days ago - Pushed: 16 days ago - Stars: 0 - Forks: 0

crest-lab/crest

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

Language: Fortran - Size: 1.85 MB - Last synced: 16 days ago - Pushed: 16 days ago - Stars: 167 - Forks: 41

Z2PackDev/Z2Pack

A tool for calculating topological invariants.

Language: Python - Size: 193 MB - Last synced: 17 days ago - Pushed: 17 days ago - Stars: 81 - Forks: 51

zerothi/sisl

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

Language: Python - Size: 386 MB - Last synced: 22 days ago - Pushed: 22 days ago - Stars: 169 - Forks: 55

dftbplus/skprogs

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

Language: Fortran - Size: 762 KB - Last synced: 18 days ago - Pushed: 18 days ago - Stars: 24 - Forks: 18

Anjishnubose/TightBindingToolkit.jl

Tools for general Tight Binding systems

Language: Julia - Size: 1.07 MB - Last synced: 19 days ago - Pushed: about 2 months ago - Stars: 13 - Forks: 0

Z2PackDev/TBmodels

A tool for creating and manipulating tight-binding models.

Language: Python - Size: 11.6 MB - Last synced: 20 days ago - Pushed: 20 days ago - Stars: 35 - Forks: 27

awvwgk/xtb-logo

The logo of the xtb program

Size: 11.7 KB - Last synced: 22 days ago - Pushed: about 4 years ago - Stars: 0 - Forks: 0

awvwgk/daresbury

Material for the DFTB+ school in Daresbury 2022

Language: TeX - Size: 2.92 MB - Last synced: 22 days ago - Pushed: almost 2 years ago - Stars: 0 - Forks: 1

ltalirz/atomistic-software

Tracking citations of atomistic simulation engines

Language: JavaScript - Size: 65 MB - Last synced: 23 days ago - Pushed: 24 days ago - Stars: 16 - Forks: 10

tblite/tblite

Light-weight tight-binding framework

Language: Fortran - Size: 1.28 MB - Last synced: 22 days ago - Pushed: about 1 month ago - Stars: 78 - Forks: 33

jarvist/MAPI-TB

(Work in Progress) Tight binding model for MAPI based on PythTB module.

Language: Python - Size: 31.3 KB - Last synced: about 1 month ago - Pushed: over 7 years ago - Stars: 0 - Forks: 2

jarvist/LongSnakeMoan

Codes to predict DoS of a polymer chain in vacuum with Python Tightbinding (Huckel model)

Language: Python - Size: 156 KB - Last synced: about 1 month ago - Pushed: over 6 years ago - Stars: 0 - Forks: 0

grimme-lab/xtb-python

Python API for the extended tight binding program package

Language: Python - Size: 125 KB - Last synced: 28 days ago - Pushed: about 1 month ago - Stars: 92 - Forks: 29

shamim-hussain/graphene_bulk_nanoribbon_tightbinding

Nearest neighbor tight-binding estimation of band structures of bulk and nano-ribbon (Armchair and Zigzag) graphene.

Language: MATLAB - Size: 4.62 MB - Last synced: about 1 month ago - Pushed: over 3 years ago - Stars: 7 - Forks: 6

Cloudiiink/pyw90

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

Language: Python - Size: 2.38 MB - Last synced: 18 days ago - Pushed: 5 months ago - Stars: 29 - Forks: 3

freude/NanoNet

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.

Language: Jupyter Notebook - Size: 3.21 MB - Last synced: 28 days ago - Pushed: 5 months ago - Stars: 29 - Forks: 11

grimme-lab/ptb

Density matrix (P) tight-binding (TB)

Language: Fortran - Size: 1.29 MB - Last synced: about 2 months ago - Pushed: 10 months ago - Stars: 4 - Forks: 3

HopTB/HopTB.jl

Tight-binding package written in Julia

Language: Julia - Size: 370 KB - Last synced: 14 days ago - Pushed: 6 months ago - Stars: 46 - Forks: 6

QG-phy/TBSOC

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

Language: Jupyter Notebook - Size: 12.7 MB - Last synced: 16 days ago - Pushed: 3 months ago - Stars: 23 - Forks: 6

deepmodeling/tbplas

Repository of TBPLaS (tight-binding package for large-scale simulation)

Size: 23.7 MB - Last synced: 2 months ago - Pushed: 2 months ago - Stars: 2 - Forks: 0

grimme-lab/xtb_docs

Language: Python - Size: 55.4 MB - Last synced: 22 days ago - Pushed: about 2 months ago - Stars: 34 - Forks: 35

dipc-cc/hubbard

Python tools for mean-field Hubbard models

Language: Python - Size: 29.1 MB - Last synced: 22 days ago - Pushed: 4 months ago - Stars: 20 - Forks: 8

strawberrypy-developers/strawberrypy

StraWBerryPy (Single-poinT and local invaRiAnts for Wannier Berriologies in Python) is a Python package to calculate topological invariants and quantum-geometrical quantities in non-crystalline topological insulators

Language: Python - Size: 3.55 MB - Last synced: 3 months ago - Pushed: 3 months ago - Stars: 5 - Forks: 0

aamaricci/TBmodels

A collection of non-interacting Tight Binding models, often used as a basis for interacting problem calculations.

Language: Mathematica - Size: 7.78 MB - Last synced: 2 months ago - Pushed: 3 months ago - Stars: 9 - Forks: 2

TITAN-FZJ/TITAN

Tight-binding suite code for electronic structure of nanomaterials

Language: Fortran - Size: 14.7 MB - Last synced: 5 months ago - Pushed: 5 months ago - Stars: 3 - Forks: 2

guanjihuan/py.guanjihuan.com

Language: Python - Size: 587 KB - Last synced: 5 months ago - Pushed: 5 months ago - Stars: 8 - Forks: 2

piskunow/kpm-tools

Toolkit with Kernel Polynomial Method based modules for quantum physics simulations.

Language: Python - Size: 2.24 MB - Last synced: 26 days ago - Pushed: 2 months ago - Stars: 1 - Forks: 0

grimme-lab/gbsa-parameters

Parameter files for the GBSA implicit solvation model

Language: Awk - Size: 63.5 KB - Last synced: about 2 months ago - Pushed: about 3 years ago - Stars: 2 - Forks: 1

DariaSatco/graphene_band

Graphene 4-orbital TB band structure calculations

Language: Fortran - Size: 5.39 MB - Last synced: 7 months ago - Pushed: almost 6 years ago - Stars: 3 - Forks: 4

LaurentNevou/Q_band_ZB_3dplot

Computes and plot the electrons distribution in the ZB Brillouin zone

Language: MATLAB - Size: 181 KB - Last synced: 7 months ago - Pushed: over 2 years ago - Stars: 4 - Forks: 1

LaurentNevou/Q_band_ZB

Computes the electronic band structure of Zinc Blende semiconductor

Language: MATLAB - Size: 4.12 MB - Last synced: 7 months ago - Pushed: over 2 years ago - Stars: 12 - Forks: 2

DariaSatco/cntabsorpt

Calculation of intersubband plasmons in doped carbon nanotubes.

Language: Fortran - Size: 1000 KB - Last synced: 7 months ago - Pushed: almost 4 years ago - Stars: 6 - Forks: 3

phanakata/tight-binding

Python package to model and calculate electronic properties of materials using atomic configurations from experiments or computer simulations (e.g classical molecular dynamics) via tight-binding formulation

Language: Python - Size: 127 KB - Last synced: 7 months ago - Pushed: over 1 year ago - Stars: 1 - Forks: 1

QcmPlab/HoneyTools

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

Language: Fortran - Size: 2.1 MB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 8 - Forks: 2

JosePizarro3/SSMF

Slave-Spin Mean-Field approach based on tight-binding models.

Language: Fortran - Size: 614 KB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 1 - Forks: 1

spindynamics/TBKOSTER

Tight-Binding Kernel of Objets for SpinTronics Enhanced Research

Language: Fortran - Size: 17 MB - Last synced: 5 months ago - Pushed: 5 months ago - Stars: 4 - Forks: 5

grimme-lab/xtb4stda

sTDA-xTB Hamiltonian for ground state

Language: Fortran - Size: 943 KB - Last synced: 22 days ago - Pushed: about 2 years ago - Stars: 15 - Forks: 10

srigas/tbcode

FORTRAN Code to simulate the effects of impurities embedded in or adsorbed on superconducting hosts.

Language: Fortran - Size: 14 MB - Last synced: 4 months ago - Pushed: over 1 year ago - Stars: 2 - Forks: 1

joselado/quantum-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.

Language: Python - Size: 13.5 MB - Last synced: 10 months ago - Pushed: 10 months ago - Stars: 28 - Forks: 7

khsrali/LTB-Symm

LTB-Symm is a publicly available code that does two things: large scale tight-binding (LTB) calculation of 2D materials, and checks topological symmetries (Symm) of their wave functions.

Language: Python - Size: 10.7 MB - Last synced: 12 days ago - Pushed: 3 months ago - Stars: 2 - Forks: 0

tpolakovic/SimpleQuantum

A Julia package for calculating properties of crystalline solids.

Language: Julia - Size: 55.7 KB - Last synced: about 1 year ago - Pushed: about 1 year ago - Stars: 11 - Forks: 0

aromanro/TightBinding

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

Language: C++ - Size: 108 KB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 12 - Forks: 8

wushidonguc/swan

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

Language: C++ - Size: 761 KB - Last synced: about 1 year ago - Pushed: over 4 years ago - Stars: 5 - Forks: 5

clgrogan/CouplingTightLooseSpring

Java class files (from Maven project) demonstrating tight coupling, loose coupling with interface and abstract class, and loose coupling with Spring Framework

Language: Java - Size: 2.93 KB - Last synced: about 1 year ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0

joselado/pygra

Python library to compute different properties of tight binding models

Language: Python - Size: 8.93 MB - Last synced: about 1 year ago - Pushed: over 2 years ago - Stars: 27 - Forks: 21

bakhshiali/nanophotonic-simulation

Here we are trying to model & simulate the band structures (tightbinding, FDTD, PWE (plane wave expansion), Density Functional theory (DFT), ...)

Language: Jupyter Notebook - Size: 4.43 MB - Last synced: about 1 year ago - Pushed: about 2 years ago - Stars: 1 - Forks: 0

Hop-developers/Hop.jl 📦

Hop.jl has been renamed to HopTB.jl and moved to https://github.com/HopTB/HopTB.jl

Language: Julia - Size: 200 KB - Last synced: about 1 year ago - Pushed: almost 2 years ago - Stars: 5 - Forks: 0

joselado/kpmpy

Python package implementing the kernel polynomial method

Language: Python - Size: 234 KB - Last synced: about 1 year ago - Pushed: over 3 years ago - Stars: 4 - Forks: 2

emanuelm33/BinPo

BinPo: A code for electronic properties of 2D electron systems

Language: Python - Size: 22.3 MB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 6 - Forks: 2

joselado/qutranpy

User interface to perform quantum transport calculations with non equilibrium Green's functions

Language: Python - Size: 259 KB - Last synced: about 1 year ago - Pushed: almost 6 years ago - Stars: 7 - Forks: 6

joselado/quantum-honeycomp

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

Language: Python - Size: 46.4 MB - Last synced: about 1 year ago - Pushed: almost 3 years ago - Stars: 39 - Forks: 17

fernandopenaranda/MBSinBLG

Quantum simulations: Topological SC in Encapsulated Bilayer Graphene

Language: Julia - Size: 55.4 MB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 3 - Forks: 1

vasilsaroka/TBpack

Tight-binding calculations in Mathematica

Language: Mathematica - Size: 32 MB - Last synced: 11 months ago - Pushed: about 2 years ago - Stars: 6 - Forks: 6

rwiuff/QuantumTransport

Utilising python for tight-binding simulations of electron transmission in Nanoporous Graphene Devices

Language: TeX - Size: 194 MB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 1 - Forks: 2

minspan199/non-hermitian-particle-hole-symmetry

novel zero modes brought by particle-hole symmetry in non-Hermitian regime

Language: Limbo - Size: 3.53 MB - Last synced: about 1 year ago - Pushed: about 4 years ago - Stars: 2 - Forks: 1

TomHodson/FKMC

🎲⛓👉🧪 Markov Chain Monte Carlo on the Falikov-Kimball model.

Language: Jupyter Notebook - Size: 44.6 MB - Last synced: about 1 year ago - Pushed: about 2 years ago - Stars: 0 - Forks: 0

MRedies/STB

Simple Tight-binding

Language: Fortran - Size: 10 MB - Last synced: 4 months ago - Pushed: 12 months ago - Stars: 5 - Forks: 7

twesterhout/tipsi-builder

TiPSi builder module as a pure Python package for ease of installation

Language: Python - Size: 1.95 KB - Last synced: about 1 year ago - Pushed: over 3 years ago - Stars: 0 - Forks: 0

wrs28/Kwant.jl

Julia binding to kwant

Language: Julia - Size: 44.9 KB - Last synced: 14 days ago - Pushed: over 4 years ago - Stars: 3 - Forks: 1

joaosds/1dTB

Simple code to obtain the dispersion curve and z component of spin-spin correlation for a 1D Tight Binding model.

Language: Fortran - Size: 55.7 KB - Last synced: about 1 year ago - Pushed: over 3 years ago - Stars: 0 - Forks: 0

ryuikaneko/tight_binding_shell_condition

Language: Python - Size: 1.36 MB - Last synced: about 1 year ago - Pushed: almost 4 years ago - Stars: 0 - Forks: 1

ryuikaneko/mvmc_noninteracting

Language: Python - Size: 209 KB - Last synced: about 1 year ago - Pushed: over 4 years ago - Stars: 0 - Forks: 1

brandimarte/kpm

Kernel Polynomial Method implementation using Chebyshev expansion for disordered lattices.

Language: Fortran - Size: 356 KB - Last synced: about 1 year ago - Pushed: over 5 years ago - Stars: 0 - Forks: 0

jarvist/Teclo.jl

Tight Binding calculation of the Density of States of disordered materials

Language: Jupyter Notebook - Size: 40 KB - Last synced: about 1 month ago - Pushed: over 6 years ago - Stars: 1 - Forks: 1