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
Auto-generated C# / .NET bindings for Valve's Steam Audio (Phonon)
Automation software for calculating anharmonic phonon properties
We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.
Semiemperical quasiharmonic thermal elasticity
🔧 Python package for 3rd/4th-order force constant calculation via finite displacement method, with ML potential support & thermal disorder generation.
Radiative transport in 3D Earth models
A 200-line MATLAB code for calculating the dynamical matrix using the Tersoff potential
Automated all-functionals infrared and Raman spectra, and phonons.
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
Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.
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.
test Steam Audio SDK C API (Phonon 3D) with Openframeworks 0.9.3
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