Generate random alloys and compute various properties
☆72May 26, 2026Updated 2 months ago
Alternatives and similar repositories for High-Entropy-Alloys
Users that are interested in High-Entropy-Alloys are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- High Entropy Alloys (HEAs) are multi-chemical elements alloys with exceptional physical properties. HEAs have sparked the interest in eng…☆11Jan 2, 2022Updated 4 years ago
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆91Sep 26, 2023Updated 2 years ago
- Machine learning model for complex concentrated alloys/high entropy alloys using TensorFlow☆17Dec 29, 2020Updated 5 years ago
- ☆24Jul 25, 2021Updated 5 years ago
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆39May 15, 2026Updated 2 months 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.
- An application for designing Al-Fe-Co-Cr-Ni high-entropy alloys by combining first-principles calculations and machine learning.☆29May 7, 2026Updated 2 months 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
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆22Updated this week
- This is a simplified code of our work ''machine learning enabled high-entropy alloys discovery''☆18Sep 26, 2023Updated 2 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆15Nov 17, 2023Updated 2 years ago
- Worked on a dataset of high entropy alloys which is used to design materials for additive manufacturing. Being responsible for Performing…☆18Aug 20, 2022Updated 3 years 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.
- Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials…☆25Jun 18, 2026Updated last month
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆50Aug 3, 2022Updated 3 years ago
- Utility scripts and programs for VASP calculations☆29Updated this week
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Jun 24, 2026Updated last month
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- ☆16Apr 2, 2025Updated last year
- Collection of some analytical bond order potentials ( listed in the LAMMPS format) from literature☆17Dec 12, 2022Updated 3 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- ☆15Nov 10, 2025Updated 8 months ago
- 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.
- Python package to interact with high-dimensional representations of the chemical elements☆52Jul 14, 2026Updated 2 weeks ago
- Band structure unfolding made easy!☆67Jul 6, 2026Updated 3 weeks ago
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- Input files for ASE-MC manuscript☆33Jul 13, 2026Updated 2 weeks ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆50Apr 1, 2025Updated last year
- APEX: Alloy Properties EXplorer using simulations☆46Updated this week
- Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of t…☆14Apr 2, 2026Updated 3 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆31Jan 30, 2025Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆29Jan 4, 2026Updated 6 months ago
- 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.
- Diffusion models for disordered materials☆21Nov 18, 2025Updated 8 months ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆24Mar 3, 2023Updated 3 years ago
- gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…☆30Feb 4, 2026Updated 5 months ago
- vasp calculation flow☆22Sep 24, 2023Updated 2 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆11Jul 25, 2025Updated last year
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- MCMC-based algorithm for sampling surface reconstructions☆44Mar 1, 2026Updated 4 months ago