LAMMPS interface for phonon calculations using phonopy
☆94Nov 5, 2025Updated 8 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☆142Apr 14, 2026Updated 2 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆198Updated this week
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆30Jan 21, 2021Updated 5 years ago
- Phonon code☆481Updated this week
- A Python library and command line interface for automated free energy calculations☆93Jun 25, 2026Updated 2 weeks ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆27Jun 23, 2024Updated 2 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆83Apr 20, 2026Updated 2 months ago
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆123Jun 1, 2026Updated last month
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- The official AiiDA plugin for Phonopy☆24May 4, 2026Updated 2 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 4 months ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆463Jun 23, 2026Updated 2 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A python library for calculating materials properties from the PES☆147Jun 22, 2026Updated 2 weeks ago
- TDEP Tutorials☆38Jun 1, 2025Updated last year
- Anharmonic Lattice Dynamics☆189Jul 1, 2026Updated last week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆165Apr 22, 2026Updated 2 months ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆114Feb 22, 2022Updated 4 years ago
- 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
- ☆14Dec 14, 2024Updated last year
- Software for generating machine-learning interatomic potentials for LAMMPS☆187Oct 17, 2025Updated 8 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆17Feb 11, 2021Updated 5 years ago
- A simulation package of phonon-phonon interaction related properties☆164Jun 30, 2026Updated last week
- A plugin to AiiDA for running simulations with VASP☆65Jun 30, 2026Updated last week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆397May 12, 2026Updated last month
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆38May 19, 2026Updated last month
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated last month
- LAMMPS plugin for AiiDA☆29Jun 29, 2026Updated last week
- Code for automated fitting of machine learned interatomic potentials.☆153Updated this week
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆29Feb 8, 2020Updated 6 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Electronic transport properties from first-principles calculations☆163May 25, 2026Updated last month
- LAMMPS tutorials for Beginners☆481Feb 19, 2023Updated 3 years ago
- ☆23Dec 8, 2022Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆52Mar 9, 2019Updated 7 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated last week
- An open-source Python package for creating fast and accurate interatomic potentials.☆359Feb 6, 2026Updated 5 months ago
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated 2 years ago