Semiempirical Extended Tight-Binding Program Package
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Dec 22, 2024 - Fortran
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tight-binding
Here are 91 public repositories matching this topic...
DFTB+ general package for performing fast atomistic simulations
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Dec 23, 2024 - Fortran
WannierTools: An open-source software package for novel topological materials. Full documentation:
physics tight-binding condensed-matter topological-numbers band-unfolding topological-surface-states wannier90 topological-materials topological-insulator weyl-semimetal nodal-line dirac-semimetal landau-level magnetoersistance surface-state wilson-loop wannier-charge-center
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Dec 13, 2024 - Fortran
CREST - A program for the automated exploration of low-energy molecular chemical space.
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Dec 11, 2024 - Fortran
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
gulp dft geometry physics vasp density-functional-theory tight-binding graphene solid-state-physics condensed-matter negf siesta wannier90 solid-state transiesta tbtrans bigdft
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Dec 23, 2024 - Python
Scientific Python package for tight-binding calculations in solid state physics
quantum-mechanics band-structure tight-binding scientific-computing solid-state-physics condensed-matter
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Oct 15, 2023 - C++
Python API for the extended tight binding program package
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Sep 3, 2024 - Python
Light-weight tight-binding framework
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Dec 11, 2024 - Fortran
Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
topology tight-binding density-of-states disorder interactions magnetism quantum-transport electronic-structure symmetry-breaking superconductivity topological-insulator mean-field-theory moire-pattern fermi-surface non-collinear-magnetism spectral-functions spin-textures heavy-fermions
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Nov 19, 2024 - Python
A tool for calculating topological invariants.
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Dec 2, 2024 - Python
Efficient And Fully Differentiable Extended Tight-Binding
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Dec 24, 2024 - Python
a python package for computing magnetic interaction parameters
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Nov 18, 2024 - Python
Simulation of quantum systems on a lattice
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Dec 12, 2024 - Julia
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
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Dec 24, 2024 - Python
Tight-binding package written in Julia
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Nov 19, 2023 - Julia
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.
topology tight-binding user-interface interactions superconductivity topological-insulator mean-field-theory spin-orbit-coupling
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Nov 19, 2024 - Python
Package to perform tight binding calculation in tight binding models, with a friendly user interface
tight-binding graphene user-interface topological-insulator mean-field-theory kernel-polynomial-method
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Aug 6, 2021 - Python
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
python topology dft physics quantum band-structure tight-binding computational-physics hamiltonian electronic-structure electronic-structure-calculations topological-insulator ase condensed pymatgen slater-koster atomic-simulation-environment topological-insulators
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Sep 19, 2023 - Python
A tool for creating and manipulating tight-binding models.
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Dec 24, 2024 - Python
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Dec 11, 2024 - Python
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