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Mar 2, 2025 - Python
tight-binding
Here are 90 public repositories matching this topic...
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
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Mar 1, 2025 - Python
Efficient And Fully Differentiable Extended Tight-Binding
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Mar 1, 2025 - Python
DFTB+ general package for performing fast atomistic simulations
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Mar 1, 2025 - Fortran
Light-weight tight-binding framework
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Feb 28, 2025 - Fortran
Semiempirical Extended Tight-Binding Program Package
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Feb 28, 2025 - Fortran
Simulation of quantum systems on a lattice
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Feb 27, 2025 - Julia
Tracking citations of atomistic simulation engines
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Feb 26, 2025 - JavaScript
Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
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Feb 25, 2025 - Python
Tight-Binding simulation software
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Feb 24, 2025 - Jupyter Notebook
A tool for calculating topological invariants.
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Feb 20, 2025 - Python
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Feb 20, 2025 - Python
CREST - A program for the automated exploration of low-energy molecular chemical space.
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Feb 14, 2025 - Fortran
Density matrix (P) tight-binding (TB)
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Feb 10, 2025 - Fortran
Basic programs for generating Slater-Koster files for the DFTB-method
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Feb 6, 2025 - Fortran
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
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Feb 5, 2025 - Python
a python package for computing magnetic interaction parameters
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Feb 5, 2025 - Python
WannierTools: An open-source software package for novel topological materials. Full documentation:
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Jan 21, 2025 - Fortran
Tight-binding calculations in Mathematica
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Jan 17, 2025 - Mathematica
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