A simulation package of phonon-phonon interaction related properties
☆164Jul 21, 2026Updated this week
Alternatives and similar repositories for phono3py
Users that are interested in phono3py are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Phonon code☆486Updated this week
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆143Updated this week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆191Jul 2, 2026Updated 2 weeks ago
- The Temperature Dependent Effective Potentials (TDEP) code☆122Jul 2, 2026Updated 2 weeks 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.
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆200Updated this week
- C library for finding and handling crystal symmetries☆371Jul 13, 2026Updated last week
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆22Jul 11, 2026Updated last week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Electronic transport properties from first-principles calculations☆164Jul 13, 2026Updated last week
- A code to generate atomic structure with symmetry☆380Updated this week
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆83Apr 20, 2026Updated 3 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆269Updated this week
- Heavyweight plotting tools for ab initio calculations☆254Apr 9, 2026Updated 3 months ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆21Jul 18, 2020Updated 6 years ago
- A plugin to AiiDA for running simulations with VASP☆65Updated this week
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆34May 27, 2026Updated last month
- Visualise lattice vibrations☆110Apr 4, 2026Updated 3 months ago
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆82Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- LAMMPS interface for phonon calculations using phonopy☆94Nov 5, 2025Updated 8 months ago
- Generate symmetrized force constants☆29Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆105Jul 2, 2026Updated 2 weeks ago
- ☆20Updated this week
- i-PI: a universal force engine☆310Updated this week
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆266May 23, 2026Updated last month
- A python library for calculating materials properties from the PES☆148Updated this week
- DFTB+ general package for performing fast atomistic simulations☆432Updated this week
- ☆11Sep 16, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆86Jul 13, 2026Updated last week
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆18Jul 2, 2026Updated 3 weeks ago
- Open-source library for analyzing the results produced by ABINIT☆142Jun 16, 2026Updated last month
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 2 years ago
- ☆111Jun 5, 2026Updated last month
- jobflow is a library for writing computational workflows.☆124Updated this week