Molecular dynamics package designed for the SIESTA DFT code.
☆17Nov 10, 2025Updated 5 months ago
Alternatives and similar repositories for somd
Users that are interested in somd are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"☆16Nov 5, 2023Updated 2 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 3 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆53Apr 2, 2026Updated last week
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Mar 11, 2020Updated 6 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Oct 27, 2019Updated 6 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆34Dec 13, 2024Updated last year
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Feb 8, 2020Updated 6 years ago
- High-performance phase field crystal (PFC) code for generating realistic model systems of polycrystalline graphene.☆16Nov 13, 2018Updated 7 years ago
- This GitHub repository contains additional information supporting published manuscripts☆19Sep 9, 2024Updated last year
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆25Dec 17, 2025Updated 3 months ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆32Sep 24, 2025Updated 6 months ago
- A Python interface for GPUMD☆34Nov 30, 2022Updated 3 years ago
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Mar 17, 2019Updated 7 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Jul 2, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(…☆12Dec 31, 2017Updated 8 years ago
- Tutorials on atomic simulations related to my research☆31Jun 30, 2022Updated 3 years ago
- A python interface of NEP☆69Oct 27, 2025Updated 5 months ago
- Some examples of GPUMD☆24May 15, 2024Updated last year
- The TurboGAP code☆20Apr 1, 2026Updated last week
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆25Feb 14, 2025Updated last year
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- ☆12Apr 9, 2025Updated last year
- 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.
- A CUDA-implementation of linear-scaling quantum transport methods☆28Sep 28, 2023Updated 2 years ago
- Parallel Groebner Basis Computation☆26Mar 21, 2026Updated 2 weeks ago
- Interactive tutorials for the PIMD Massive Open Online Course☆24Aug 2, 2023Updated 2 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Jun 23, 2020Updated 5 years ago
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆10Feb 4, 2026Updated 2 months ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- Anharmonic Lattice Dynamics☆181Updated this week
- Material structure processing software based on ASE (Atomic Simulation Environment)☆71Feb 25, 2026Updated last month
- 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.
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 4 months ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆47Mar 30, 2026Updated last week
- add the influence of external field to REANN model☆26Sep 20, 2024Updated last year
- ☆13Dec 14, 2024Updated last year
- ☆11Sep 16, 2024Updated last year
- Graphics Processing Units Genetic Algorithm☆26Mar 3, 2021Updated 5 years ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year