Phonon anharmonicity analysis from molecular dynamics
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Updated
May 27, 2024 - Python
Phonon anharmonicity analysis from molecular dynamics
LAMMPS interface for phonon calculations using phonopy
A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
Semiemperical quasiharmonic thermal elasticity
Automated all-functionals infrared and Raman spectra, and phonons.
Python bindings for "Siesta as a subroutine" DFT
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.
Simulation of ballistic phonon and electron trajectories in graphene flakes.
Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.
Python package for studying material's electronic transport data
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