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

• UpdatedJul 29, 2024
• Python

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

• UpdatedJan 2, 2025
• Jupyter Notebook

Julia codes to play with Phonons

• UpdatedNov 7, 2018
• Julia

Phonon for AiiDA

• UpdatedMar 6, 2025
• Python

Monte Carlo simulator of phonon and heat transport in nanostructures

• UpdatedMar 13, 2025
• Python

Python program for analyzing the output files of phonopy.

• UpdatedSep 14, 2021
• Python

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

• UpdatedFeb 17, 2025
• Python

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

• UpdatedSep 4, 2024
• Python

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

• UpdatedMay 30, 2017
• Jupyter Notebook

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

• UpdatedFeb 22, 2025
• Python

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

• UpdatedAug 25, 2021
• Julia

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

• UpdatedJan 14, 2019
• MATLAB

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

• UpdatedOct 13, 2017
• Shell

Collection of codes for the discipline Solid State Electronics

• UpdatedJan 13, 2025
• Julia

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

• UpdatedMar 11, 2025
• Jupyter Notebook

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

• UpdatedJul 5, 2023
• Python

Demonstration of the AiiDA-Vibroscopy package.

• UpdatedAug 31, 2023
• Jupyter Notebook

Generalized 2D phonon transport using a Monte Carlo method

• UpdatedMay 4, 2024
• C++

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

• UpdatedFeb 21, 2020
• C++

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

• UpdatedJun 15, 2022