Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.

Julia codes to play with Phonons

Phonons for AiiDA

Monte Carlo simulator of phonon and heat transport in nanostructures

Python program for analyzing the output files of phonopy.

A Python package for numerical quantum mechanics of chain-like systems based on tensor trains

Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and machine learning..

TISH solver in Julia by discretisation, combined with a deformation potential estimate of Electron-Phonon coupling

GUI for running simulations with universal machine learning interatomic potentials (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim))

Python code to simulate phonon transport in nanodevices using the Monte Carlo method from ab-initio phonon data.

Automatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl

Collection of scripts for running phonon calculations using machine-learned interatomic potentials

Converts anisotropic displacement parameters to different parametrizations and can also handle Phonopy output.

Disordered Methylammonium-Lead-Halide 1x1x1 Pseudocubic structures, codes and realisations

Collection of codes for the discipline Solid State Electronics

Generalized 2D phonon transport using a Monte Carlo method

Useful codes for first-principle phonon calculations using the results from phonopy

Numerical simulations of phonon-induced non-Markovianity in silicon-vacancy (SiV) centers in diamond, as used in "Phonon-induced non-equilibrium dynamics of a single solid-state spin" (Norambuena, Tancara, Chomali-Castro, Castillo, 2024).

comatphys.github.io