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)
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
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