Onsager coefficients for interstitial and vacancy-mediated diffusion
☆14Jan 31, 2025Updated last year
Alternatives and similar repositories for Onsager
Users that are interested in Onsager are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆13Sep 29, 2025Updated 8 months ago
- A tool for finding optimized SQS structures tool written in C++☆72Updated this week
- Gaussian Approximation Potential Training☆17Jan 22, 2022Updated 4 years ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Jan 28, 2025Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Tools to compute and plot fiber orientation evolution☆20Sep 22, 2025Updated 8 months ago
- High throughput workflow tools for characterizing 2D materials in VASP.☆22Jul 6, 2023Updated 2 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- Supplementary scripts for Z1+ users☆18Dec 12, 2025Updated 5 months ago
- Occupation matrix control modification VASP☆56Sep 11, 2019Updated 6 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- Python package for uncertainty quantification in CALPHAD☆12Dec 2, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A Julia code for performing variational Monte Carlo (VMC) simulations of determinantal wave functions☆15Nov 16, 2017Updated 8 years ago
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 3 years ago
- Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics☆14Nov 3, 2021Updated 4 years ago
- ☆14Sep 14, 2025Updated 8 months ago
- SPMS table of pseudopotentials☆22Jan 22, 2023Updated 3 years ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆25May 26, 2026Updated 2 weeks ago
- Generate isosurface from density data☆14May 21, 2026Updated 3 weeks ago
- Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…☆12Sep 29, 2023Updated 2 years ago
- Builder for molecular systems☆17Feb 3, 2026Updated 4 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14May 2, 2026Updated last month
- Materials Interface: methods in computational materials science☆26Mar 28, 2017Updated 9 years ago
- A general parser for VASP☆15Jun 2, 2026Updated last week
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- An open source astronomy learning tool.☆11May 26, 2018Updated 8 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- ☆12Feb 28, 2020Updated 6 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 3 years 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.
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Oct 29, 2022Updated 3 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆14Jul 14, 2021Updated 4 years ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆23Feb 14, 2024Updated 2 years ago
- ☆46Jul 6, 2018Updated 7 years ago
- An extensible library of tools that extract metadata from scientific files☆15Jan 9, 2023Updated 3 years ago
- ☆42Feb 21, 2024Updated 2 years ago