LAMMPS interface for phonon calculations using phonopy
☆91Nov 5, 2025Updated 4 months ago
Alternatives and similar repositories for phonolammps
Users that are interested in phonolammps 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 anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆187Mar 4, 2026Updated 3 weeks ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆30Jan 21, 2021Updated 5 years ago
- Phonon code☆470Updated this week
- A Python library and command line interface for automated free energy calculations☆89Mar 19, 2026Updated last week
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆78Nov 17, 2025Updated 4 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆101Updated this week
- Tools for Phono(3)py power users.☆36Oct 23, 2023Updated 2 years ago
- ☆27Jun 23, 2024Updated last year
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- The official AiiDA plugin for Phonopy☆20Updated this week
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated last month
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- TDEP Tutorials☆35Jun 1, 2025Updated 9 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.
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆451Mar 2, 2026Updated 3 weeks ago
- Anharmonic Lattice Dynamics☆180Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆156Jan 31, 2026Updated last month
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆15Feb 11, 2021Updated 5 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆110Feb 22, 2022Updated 4 years ago
- ☆13Dec 14, 2024Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Aug 19, 2022Updated 3 years ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆182Oct 17, 2025Updated 5 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- A python library for calculating materials properties from the PES☆133Updated this week
- A simulation package of phonon-phonon interaction related properties☆160Updated this week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆387Jan 30, 2026Updated last month
- A plugin to AiiDA for running simulations with VASP☆60Updated this week
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆34Jan 6, 2026Updated 2 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 3 months ago
- LAMMPS plugin for AiiDA☆28Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆141Mar 9, 2026Updated 2 weeks ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Feb 8, 2020Updated 6 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Electronic transport properties from first-principles calculations☆158Mar 16, 2026Updated 2 weeks ago
- ☆21Dec 8, 2022Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆51Mar 9, 2019Updated 7 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated 2 months ago
- An open-source Python package for creating fast and accurate interatomic potentials.☆350Feb 6, 2026Updated last month
- Scripts to calculate elastic properties from a set of strained structures☆20Jul 3, 2024Updated last year
- LAMMPS tutorials for Beginners☆451Feb 19, 2023Updated 3 years ago