Graphics Processing Units Molecular Dynamics

D3Q + thermal2

Ab initio simulator for thermal transport and lattice anharmonicity

Phonon anharmonicity analysis from molecular dynamics

Wolfram language coding examples

We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.

Tools for the visualization of phonon results

Friendly Plot Phonon with Phonopy

Automated all-functionals infrared and Raman spectra, and phonons.

LAMMPS interface for phonon calculations using phonopy

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.

Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface

Auto-generated C# / .NET bindings for Valve's Steam Audio (Phonon)

Semiemperical quasiharmonic thermal elasticity

A Julia version of https://github.com/MineralsCloud/qha (in progress)

A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations

Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.

Python package for studying material's electronic transport data

Set of Fortran codes for TDA, 2 and 3 -phonon diagonalization of nuclear Hamiltonian within Equation-of-motion Phonon Method

Webservice to listen Webradio via MPD.