Projects

Updated 9 months ago

A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations

ab-initio phonon python3 quasi-harmonic-approximation scientific-computing thermodynamic-properties

Updated 9 months ago

Semiemperical quasiharmonic thermal elasticity

ab-initio elasticity high-pressure phonon python scientific scientific-computing solid-state-physics

Updated 9 months ago

Phonon anharmonicity analysis from molecular dynamics

anharmonicity lammps molecular-dynamics phonon phonopy vasp

Updated 9 months ago

LAMMPS interface for phonon calculations using phonopy

lammps lammps-python-interface phonon phonopy python-api

Updated 9 months ago

Ab initio simulator for thermal transport and lattice anharmonicity

alamode phonon simulation

ecosyste.ms