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

Julia codes to play with Phonons

Phonon for AiiDA

Monte Carlo simulator of phonon and heat transport in nanostructures

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

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 ML/AI.

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

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

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

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

Demonstration of the AiiDA-Vibroscopy package.

Generalized 2D phonon transport using a Monte Carlo method

Computational condensed matter research code written in C . Primary applications relate to low-dimensional carbon nanomaterials, phonons, and structural optimization.

A selection of reports from my BSc Physics degree at the University of Bristol