Python library for computing electron-phonon renormalizations from finite displacements
☆11Jan 6, 2025Updated last year
Alternatives and similar repositories for PyEPFD
Users that are interested in PyEPFD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Phonon dynamical structure factor calculation☆13Aug 11, 2023Updated 3 years ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 3 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆24Dec 8, 2022Updated 3 years ago
- Tools for Phono(3)py power users.☆38Oct 23, 2023Updated 3 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI pa…☆11Jun 16, 2021Updated 5 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- Tutorials on atomic simulations related to my research☆33Jun 30, 2022Updated 4 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- Band unfolding for phonons☆64Oct 23, 2024Updated 2 years ago
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- Non-equilibrium green's function method☆20Nov 26, 2015Updated 10 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆12Dec 19, 2016Updated 9 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 5 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- Interfacial Phonon code☆30Jul 31, 2022Updated 4 years ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆30Oct 15, 2025Updated last year
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆30Feb 8, 2020Updated 6 years ago
- Vibrations - a Python Code for Anharmonic Theoretical Vibrational Spectroscopy☆11Sep 28, 2026Updated last month
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 4 years ago
- Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)☆10Aug 23, 2019Updated 7 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- A package to compute the heat flux for MACE machine-learned force fields☆12Sep 12, 2026Updated last month
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆31Jan 21, 2021Updated 5 years ago
- Solver for the Semiconductor Bloch Equations describing optical response of a semiconductor nano-structure on an optical excitation.☆20Jun 12, 2025Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆37Dec 13, 2024Updated last year
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 years ago
- A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum☆17Jan 28, 2026Updated 9 months ago
- Calculates transport dynamics of a customizable channel and contact configuration in the Non-Equilibrium Green's Function Formalism☆23Apr 7, 2014Updated 12 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years ago
- A phonon irreducible representations calculator☆24Apr 11, 2024Updated 2 years ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 7 months ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆32Dec 25, 2021Updated 4 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Sep 13, 2020Updated 6 years ago