Topic: "tight-binding"
grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
Language: Fortran - Size: 5.37 MB - Last synced at: 10 days ago - Pushed at: 10 days ago - Stars: 644 - Forks: 158
dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
Language: Fortran - Size: 29.1 MB - Last synced at: 14 days ago - Pushed at: 14 days ago - Stars: 355 - Forks: 168
quanshengwu/wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation:
Language: Fortran - Size: 248 MB - Last synced at: 11 months ago - Pushed at: 11 months ago - Stars: 248 - Forks: 144
crest-lab/crest
CREST - A program for the automated exploration of low-energy molecular chemical space.
Language: Fortran - Size: 2.03 MB - Last synced at: 13 days ago - Pushed at: 23 days ago - Stars: 231 - Forks: 49
zerothi/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Language: Python - Size: 565 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 203 - Forks: 61
dean0x7d/pybinding
Scientific Python package for tight-binding calculations in solid state physics
Language: C++ - Size: 1.89 MB - Last synced at: 3 days ago - Pushed at: over 1 year ago - Stars: 194 - Forks: 70
tblite/tblite
Light-weight tight-binding framework
Language: Fortran - Size: 1.51 MB - Last synced at: 3 days ago - Pushed at: 4 days ago - Stars: 116 - Forks: 42
joselado/pyqula
Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
Language: Python - Size: 87.2 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 103 - Forks: 34
grimme-lab/xtb-python
Python API for the extended tight binding program package
Language: Python - Size: 125 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 92 - Forks: 29
grimme-lab/dxtb
Efficient And Fully Differentiable Extended Tight-Binding
Language: Python - Size: 3.4 MB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 86 - Forks: 15
Z2PackDev/Z2Pack
A tool for calculating topological invariants.
Language: Python - Size: 193 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 85 - Forks: 52
mailhexu/TB2J
a python package for computing magnetic interaction parameters
Language: Python - Size: 3.05 MB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 76 - Forks: 31
pablosanjose/Quantica.jl
Simulation of quantum systems on a lattice
Language: Julia - Size: 21 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 74 - Forks: 8
deepmodeling/DeePTB
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
Language: Python - Size: 119 MB - Last synced at: 15 days ago - Pushed at: 17 days ago - Stars: 73 - Forks: 18
HopTB/HopTB.jl
Tight-binding package written in Julia
Language: Julia - Size: 370 KB - Last synced at: 4 days ago - Pushed at: over 1 year ago - Stars: 56 - Forks: 9
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: 14.1 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 52 - Forks: 11
santoshkumarradha/pysktb
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
Language: Python - Size: 10.7 MB - Last synced at: 11 days ago - Pushed at: over 1 year ago - Stars: 51 - Forks: 9
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 at: about 2 years ago - Pushed at: over 3 years ago - Stars: 39 - Forks: 17
Z2PackDev/TBmodels
A tool for creating and manipulating tight-binding models.
Language: Python - Size: 11.6 MB - Last synced at: 22 days ago - Pushed at: about 2 months ago - Stars: 37 - Forks: 27
Cloudiiink/pyw90
A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
Language: Python - Size: 2.15 MB - Last synced at: 15 days ago - Pushed at: 8 months ago - Stars: 37 - Forks: 3
grimme-lab/xtb_docs
Language: Python - Size: 58.6 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 34 - Forks: 39
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 at: 6 days ago - Pushed at: over 1 year ago - Stars: 32 - Forks: 15
joselado/pygra
Python library to compute different properties of tight binding models
Language: Python - Size: 8.93 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 27 - Forks: 21
dftbplus/skprogs
Basic programs for generating Slater-Koster files for the DFTB-method
Language: Fortran - Size: 1010 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 25 - Forks: 19
dipc-cc/hubbard
Python tools for mean-field Hubbard models
Language: Python - Size: 29.1 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 24 - Forks: 9
QG-phy/TBSOC
Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
Language: Jupyter Notebook - Size: 12.7 MB - Last synced at: 6 days ago - Pushed at: about 1 year ago - Stars: 24 - Forks: 6
ltalirz/atomistic-software
Tracking citations of atomistic simulation engines
Language: JavaScript - Size: 64.4 MB - Last synced at: 12 days ago - Pushed at: 25 days ago - Stars: 19 - Forks: 12
grimme-lab/xtb4stda
sTDA-xTB Hamiltonian for ground state
Language: Fortran - Size: 943 KB - Last synced at: about 1 month ago - Pushed at: almost 3 years ago - Stars: 19 - Forks: 10
alejandrojuria/tightbinder
General purpose Slater-Koster tight-binding library for electronic structure calculations
Language: Python - Size: 21.3 MB - Last synced at: 4 days ago - Pushed at: about 1 year ago - Stars: 18 - Forks: 6
xatu-code/xatu
Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum
Language: C++ - Size: 19.7 MB - Last synced at: 25 days ago - Pushed at: 25 days ago - Stars: 17 - Forks: 9
Anjishnubose/TightBindingToolkit.jl
Tools for general Tight Binding systems
Language: Julia - Size: 1.07 MB - Last synced at: about 1 month ago - Pushed at: about 1 year ago - Stars: 17 - Forks: 0
vasilsaroka/TBpack
Tight-binding calculations in Mathematica
Language: Mathematica - Size: 32.3 MB - Last synced at: about 14 hours ago - Pushed at: about 15 hours ago - Stars: 14 - Forks: 8
aromanro/TightBinding
Semi-empirical tight-binding computation of the electronic structure of semiconductors
Language: C++ - Size: 120 KB - Last synced at: 23 days ago - Pushed at: about 1 year ago - Stars: 14 - Forks: 8
ZekiZeybek/ExactDiag
Code for exact diagonalization of BoseHubbard hamiltonian
Language: Python - Size: 15.6 KB - Last synced at: 3 months ago - Pushed at: almost 5 years ago - Stars: 13 - Forks: 2
guanjihuan/py.guanjihuan.com
Language: Python - Size: 796 KB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 12 - Forks: 2
LaurentNevou/Q_band_ZB
Computes the electronic band structure of Zinc Blende semiconductor
Language: MATLAB - Size: 4.12 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 12 - Forks: 2
tpolakovic/SimpleQuantum
A Julia package for calculating properties of crystalline solids.
Language: Julia - Size: 55.7 KB - Last synced at: almost 2 years ago - Pushed at: about 2 years ago - Stars: 11 - Forks: 0
deepmodeling/tbplas
Repository of TBPLaS (tight-binding package for large-scale simulation)
Size: 23.7 MB - Last synced at: 29 days ago - Pushed at: about 1 year ago - Stars: 9 - Forks: 5
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: 3.73 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 8 - Forks: 0
QcmPlab/HoneyTools
Honeycomb flakes, sheets, ribbons, whatever. Made easy.
Language: Fortran - Size: 2.1 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 8 - Forks: 2
grimme-lab/ptb
Density matrix (P) tight-binding (TB)
Language: Fortran - Size: 1.23 MB - Last synced at: about 1 month ago - Pushed at: 2 months ago - Stars: 7 - Forks: 4
jabirali/bodge
Numerical library for working with clean superconductors in Python using the Bogoliubov-de Gennes formalism
Language: Python - Size: 10.5 MB - Last synced at: 4 days ago - Pushed at: 5 months ago - Stars: 7 - Forks: 1
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 at: about 1 year ago - Pushed at: over 4 years ago - Stars: 7 - Forks: 6
joselado/qutranpy
User interface to perform quantum transport calculations with non equilibrium Green's functions
Language: Python - Size: 259 KB - Last synced at: about 2 years ago - Pushed at: over 6 years ago - Stars: 7 - Forks: 6
emanuelm33/BinPo
BinPo: A code for electronic properties of 2D electron systems
Language: Python - Size: 22.3 MB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 6 - Forks: 2
DariaSatco/cntabsorpt
Calculation of intersubband plasmons in doped carbon nanotubes.
Language: Fortran - Size: 1000 KB - Last synced at: over 1 year ago - Pushed at: almost 5 years ago - Stars: 6 - Forks: 3
jincao2013/wanpy
Wannier tight-binding framework
Language: Python - Size: 325 KB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 5 - Forks: 1
spindynamics/TBKOSTER
Tight-Binding Kernel of Objets for SpinTronics Enhanced Research
Language: Fortran - Size: 17.2 MB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 5 - Forks: 5
MRedies/STB
Simple Tight-binding
Language: Fortran - Size: 10 MB - Last synced at: 5 months ago - Pushed at: almost 2 years ago - Stars: 5 - Forks: 7
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 at: about 2 years ago - Pushed at: almost 3 years ago - Stars: 5 - Forks: 0
wushidonguc/swan
An open-source C++ software for efficient nanoscale quantum transport simulations
Language: C++ - Size: 761 KB - Last synced at: about 2 years ago - Pushed at: over 5 years ago - Stars: 5 - Forks: 5
TITAN-FZJ/TITAN
Tight-binding suite code for electronic structure of nanomaterials
Language: Fortran - Size: 14.7 MB - Last synced at: 12 days ago - Pushed at: over 1 year ago - Stars: 4 - Forks: 2
LaurentNevou/Q_band_ZB_3dplot
Computes and plot the electrons distribution in the ZB Brillouin zone
Language: MATLAB - Size: 181 KB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 4 - Forks: 1
joselado/kpmpy
Python package implementing the kernel polynomial method
Language: Python - Size: 234 KB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 4 - Forks: 2
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 at: 9 days ago - Pushed at: about 1 year ago - Stars: 3 - Forks: 0
fernandopenaranda/MBSinBLG
Quantum simulations: Topological SC in Encapsulated Bilayer Graphene
Language: Julia - Size: 55.4 MB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 3 - Forks: 1
grimme-lab/gbsa-parameters
Parameter files for the GBSA implicit solvation model
Language: Awk - Size: 63.5 KB - Last synced at: about 1 month ago - Pushed at: about 4 years ago - Stars: 3 - Forks: 1
wrs28/Kwant.jl
Julia binding to kwant
Language: Julia - Size: 44.9 KB - Last synced at: 4 days ago - Pushed at: about 5 years ago - Stars: 3 - Forks: 1
DariaSatco/graphene_band
Graphene 4-orbital TB band structure calculations
Language: Fortran - Size: 5.39 MB - Last synced at: over 1 year ago - Pushed at: almost 7 years ago - Stars: 3 - Forks: 4
npe1011/grrm2xtb
A python3 script to use XTB for GRRM.
Language: Python - Size: 43 KB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 2 - Forks: 1
piskunow/kpm-tools
Toolkit with Kernel Polynomial Method based modules for quantum physics simulations.
Language: Python - Size: 2.24 MB - Last synced at: 2 days ago - Pushed at: about 1 year ago - Stars: 2 - Forks: 0
srigas/tbcode
FORTRAN Code to simulate the effects of impurities embedded in or adsorbed on superconducting hosts.
Language: Fortran - Size: 14 MB - Last synced at: about 1 year ago - Pushed at: over 2 years ago - Stars: 2 - Forks: 1
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 at: about 2 years ago - Pushed at: about 5 years ago - Stars: 2 - Forks: 1
liborsold/fuNEGF
Non Equillibrium Green's Functions (NEGF) solver of the atomic linear chain for educational purposes.
Language: Python - Size: 5.3 MB - Last synced at: 14 days ago - Pushed at: 4 months ago - Stars: 1 - Forks: 0
JosePizarro3/pySSMF
Slave-Spin Mean-Field approach based on tight-binding models.
Language: Fortran - Size: 356 KB - Last synced at: about 1 month ago - Pushed at: 5 months ago - Stars: 1 - Forks: 1
rwiuff/QuantumTransport
Utilising python for tight-binding simulations of electron transmission in Nanoporous Graphene Devices
Language: TeX - Size: 194 MB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 2
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 at: about 1 month ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 2
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 at: almost 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 0
jarvist/Teclo.jl
Tight Binding calculation of the Density of States of disordered materials
Language: Jupyter Notebook - Size: 40 KB - Last synced at: 12 days ago - Pushed at: over 7 years ago - Stars: 1 - Forks: 1
GRANADlauncher/granad
Tight-Binding simulation software
Language: Jupyter Notebook - Size: 57.6 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 0 - Forks: 0
srigas/topological_superconductivity
A repo containing code for TSC (topological superconductivity) simulations.
Language: Python - Size: 6.98 MB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 0 - Forks: 0
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 at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
awvwgk/daresbury
Material for the DFTB+ school in Daresbury 2022
Language: TeX - Size: 2.92 MB - Last synced at: 20 days ago - Pushed at: almost 3 years ago - Stars: 0 - Forks: 1
TomHodson/FKMC
🎲⛓👉🧪 Markov Chain Monte Carlo on the Falikov-Kimball model.
Language: Jupyter Notebook - Size: 44.6 MB - Last synced at: about 1 hour ago - Pushed at: almost 3 years ago - Stars: 0 - Forks: 0
twesterhout/tipsi-builder
TiPSi builder module as a pure Python package for ease of installation
Language: Python - Size: 1.95 KB - Last synced at: 24 days ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0
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 at: about 2 years ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 0
ryuikaneko/tight_binding_shell_condition
Language: Python - Size: 1.36 MB - Last synced at: almost 2 years ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 1
awvwgk/xtb-logo
The logo of the xtb program
Size: 11.7 KB - Last synced at: 20 days ago - Pushed at: about 5 years ago - Stars: 0 - Forks: 0
ryuikaneko/mvmc_noninteracting
Language: Python - Size: 209 KB - Last synced at: almost 2 years ago - Pushed at: over 5 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 at: about 2 years ago - Pushed at: over 6 years ago - Stars: 0 - Forks: 0
jarvist/LongSnakeMoan
Codes to predict DoS of a polymer chain in vacuum with Python Tightbinding (Huckel model)
Language: Python - Size: 156 KB - Last synced at: 12 days ago - Pushed at: over 7 years ago - Stars: 0 - Forks: 0
jarvist/MAPI-TB
(Work in Progress) Tight binding model for MAPI based on PythTB module.
Language: Python - Size: 31.3 KB - Last synced at: 12 days ago - Pushed at: over 8 years ago - Stars: 0 - Forks: 2