Phonon anharmonicity analysis from molecular dynamics
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Oct 2, 2025 - Python
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phonon
Here are 17 public repositories matching this topic...
LAMMPS interface for phonon calculations using phonopy
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Nov 5, 2025 - Python
A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
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Jul 11, 2025 - Python
Semiemperical quasiharmonic thermal elasticity
python elasticity scientific-computing phonon scientific solid-state-physics ab-initio high-pressure
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Dec 10, 2025 - Python
Automation software for calculating anharmonic phonon properties
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Dec 18, 2025 - Python
Automated all-functionals infrared and Raman spectra, and phonons.
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Dec 1, 2025 - Python
Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.
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Dec 18, 2023 - Python
The Dark Matter Ab initio maGnon/phonon Interaction Calculator (DarkMAGIC) is a python package for computing DM interaction rates with collective excitations based on ab initio calculations of material properties.
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Sep 26, 2024 - Python
Python package for studying material's electronic transport data
electron materials electronics quantum transport phonon semiconductor magnetic hole electronic-transport kelvin-probe 4probe semimetal
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Feb 2, 2024 - Python
Python bindings for "Siesta as a subroutine" DFT
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Dec 30, 2024 - Python
Simulation of ballistic phonon and electron trajectories in graphene flakes.
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Jul 26, 2021 - Python
Friendly Plot Phonon with Phonopy
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Sep 12, 2024 - Python
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