Graphics Processing Units Molecular Dynamics
-
Updated
Sep 13, 2024 - Cuda
Graphics Processing Units Molecular Dynamics
Friendly Plot Phonon with Phonopy
Automated all-functionals infrared and Raman spectra, and phonons.
Ab initio simulator for thermal transport and lattice anharmonicity
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
Phonon anharmonicity analysis from molecular dynamics
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.
Phonon is a responsive front-end framework with a focus on simplicity and flexibility
Part of my work realized during the years as a PhD student. I was in the team MEMO of the CIRIMAT lab in Toulouse. I study via a multi-scale approach the influence influence of H, C, N impurities and point defects on the solubility and diffusion of the oxygen in the nickel (fcc phase). My works was under the supervision of Damien Connétable and …
Add a description, image, and links to the phonon topic page so that developers can more easily learn about it.
To associate your repository with the phonon topic, visit your repo's landing page and select "manage topics."