LAMMPS interface for phonon calculations using phonopy
☆91Nov 5, 2025Updated 5 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☆137Apr 7, 2026Updated last week
- Ab initio simulator for thermal transport and lattice anharmonicity☆188Mar 4, 2026Updated last month
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆30Jan 21, 2021Updated 5 years ago
- Phonon code☆473Updated this week
- A Python library and command line interface for automated free energy calculations☆89Updated this week
- 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.
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆81Mar 26, 2026Updated 3 weeks ago
- Tools for Phono(3)py power users.☆36Oct 23, 2023Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆106Mar 31, 2026Updated 2 weeks ago
- ☆27Jun 23, 2024Updated last year
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- The official AiiDA plugin for Phonopy☆21Mar 23, 2026Updated 3 weeks ago
- 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
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆453Apr 6, 2026Updated last week
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- TDEP Tutorials☆36Jun 1, 2025Updated 10 months ago
- Anharmonic Lattice Dynamics☆181Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆158Jan 31, 2026Updated 2 months ago
- 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☆111Feb 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.☆35Aug 19, 2022Updated 3 years ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆184Oct 17, 2025Updated 6 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A python library for calculating materials properties from the PES☆137Updated this week
- A simulation package of phonon-phonon interaction related properties☆161Updated this week
- A plugin to AiiDA for running simulations with VASP☆61Updated this week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆390Mar 31, 2026Updated 2 weeks ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆35Jan 6, 2026Updated 3 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 4 months ago
- LAMMPS plugin for AiiDA☆28Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆144Apr 9, 2026Updated last week
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Feb 8, 2020Updated 6 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Electronic transport properties from first-principles calculations☆158Mar 16, 2026Updated last month
- ☆21Dec 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☆30Jan 29, 2026Updated 2 months ago
- An open-source Python package for creating fast and accurate interatomic potentials.☆351Feb 6, 2026Updated 2 months ago
- Scripts to calculate elastic properties from a set of strained structures☆20Jul 3, 2024Updated last year
- LAMMPS tutorials for Beginners☆452Feb 19, 2023Updated 3 years ago