Graphics Processing Units Molecular Dynamics

Phonon is a responsive front-end framework with a focus on simplicity and flexibility

Ab initio simulator for thermal transport and lattice anharmonicity

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

D3Q + thermal2

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

Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory

Semiemperical quasiharmonic thermal elasticity

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

Radiative transport in 3D Earth models

A 200-line MATLAB code for calculating the dynamical matrix using the Tersoff potential

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

test Steam Audio SDK C API (Phonon 3D) with Openframeworks 0.9.3

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

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