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Graphics Processing Units Molecular Dynamics
Phonon is a responsive front-end framework with a focus on simplicity and flexibility
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
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.
Python package for studying material's electronic transport data
Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.
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 Daniel Monceau.
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.
Webservice to listen Webradio via MPD.
A simple web control panel for Raspberry Pi
Custom software for Sideview Controller @ SARL, captures video of zebrafish while displaying video and triggering COM signals
Simulation of ballistic phonon and electron trajectories in graphene flakes.
A Julia version of https://github.com/MineralsCloud/qha (in progress)