Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.
☆42Oct 22, 2026Updated 2 weeks ago
Alternatives and similar repositories for Euphonic
Users that are interested in Euphonic are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- CASTEPconv, a tool to automate convergence calculations with CASTEP☆15Aug 9, 2021Updated 5 years ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Oct 8, 2026Updated 3 weeks ago
- Scripts to calculate elastic properties from a set of strained structures☆22Jul 3, 2024Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆127Oct 29, 2026Updated last week
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Sep 16, 2026Updated last month
- 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.
- Projected Electronic Bands in Quantum Espresso☆18Oct 21, 2025Updated last year
- Tools for machine learnt interatomic potentials☆52Oct 30, 2026Updated last week
- Phonon dynamical structure factor calculation☆13Aug 11, 2023Updated 3 years ago
- A library to align rigid molecules and clusters☆13Updated this week
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆32Oct 31, 2026Updated last week
- Interfacial Phonon code☆30Jul 31, 2022Updated 4 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆86Oct 5, 2026Updated last month
- Phonons from ML force fields☆24Mar 22, 2026Updated 7 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆15Mar 11, 2020Updated 6 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- LAMMPS interface for phonon calculations using phonopy☆96Nov 5, 2025Updated last year
- Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)☆10Aug 23, 2019Updated 7 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆31Feb 16, 2022Updated 4 years ago
- Phonon code☆505Updated this week
- Heavyweight plotting tools for ab initio calculations☆261Sep 3, 2026Updated 2 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆12Oct 27, 2026Updated last week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆129Oct 28, 2026Updated last 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.
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 9 months ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Automation software for calculating anharmonic phonon properties☆30Oct 29, 2026Updated last week
- tools for graph-based machine-learning potentials in jax☆28Apr 9, 2024Updated 2 years ago
- Band unfolding for phonons☆64Oct 23, 2024Updated 2 years ago
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 6 years ago
- Useful tools integrated for VASP/Wannier90 interface☆13Aug 31, 2022Updated 4 years ago
- AI Agents on 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.
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 5 years ago
- Anharmonic Lattice Dynamics☆198Oct 25, 2026Updated last week
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Generator of polynomial machine learning potentials☆24Updated this week
- ☆11Dec 10, 2023Updated 2 years ago