#计算机科学#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)
Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
Semiemperical quasiharmonic thermal elasticity
#计算机科学#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
Automated all-functionals infrared and Raman spectra, and phonons.
Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.
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
Python package for studying material's electronic transport data
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 materia...
