☆18Jul 7, 2024Updated last year
Alternatives and similar repositories for Jiezi
Users that are interested in Jiezi are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…☆29Feb 4, 2026Updated 2 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and tr…☆34Oct 15, 2025Updated 6 months ago
- A package for quickly constructing k·p models of magnetic and non-magnetic crystals☆20Jan 18, 2025Updated last year
- Calculates transport dynamics of a customizable channel and contact configuration in the Non-Equilibrium Green's Function Formalism☆23Apr 7, 2014Updated 12 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training☆17Mar 18, 2024Updated 2 years ago
- An efficient deterministic solver for phonon BTE☆35Jan 12, 2026Updated 3 months ago
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 6 years ago
- A short lecture introducing plane-wave DFT methods and DFTK☆13Jun 20, 2022Updated 3 years ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- Python package for Moiré EXciton calculations☆14Aug 22, 2025Updated 8 months ago
- A tool for computing k.p effective Hamiltonians with couplings to external fields including E, B, and epsilon, under given symmetry const…☆17Oct 14, 2022Updated 3 years ago
- The codes calculate energy spectrum, Chern number, particle partition entanglement and quantum metric of the band of the twisted bilayer …☆14Oct 27, 2024Updated last year
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated 10 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.
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆16Updated this week
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 7 years ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Aug 23, 2021Updated 4 years ago
- Ab initio tight binding simuation package☆39Dec 3, 2025Updated 4 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Apr 10, 2026Updated 2 weeks ago
- Massively parallel vibrational mode calculator.☆23Aug 14, 2024Updated last year
- ☆22Aug 21, 2025Updated 8 months ago
- Efficient numerical calculation of generalized filter functions☆18Apr 15, 2026Updated 2 weeks ago
- Software FBG_SiMul: Fibre Bragg Grating Sinal Simulation Tool for Finite Element Method Models☆10Dec 19, 2016Updated 9 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- Not just a PDE toolbox. Adapt your ideas from a clean, modular code base with Femeko.☆15Feb 22, 2026Updated 2 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 22, 2026Updated last week
- SAGA: A Security Architecture for Governing AI Agentic Systems☆20Feb 17, 2026Updated 2 months ago
- ☆17Jul 7, 2020Updated 5 years ago
- A user friendly solver with GUI for 1D quantum problem and QCL simulation☆15Feb 13, 2025Updated last year
- Modules for generating nanoscale+ atomic scenes, primarily using pymatgen as generators with S/TEM image simulation in mind☆16Mar 5, 2025Updated last year
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 2 years ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated last year
- 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.
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- ☆12May 13, 2023Updated 2 years ago
- Quantum Wells, Wires and Dots: A set of tools for simulating semiconductor nanostructures☆20Jul 10, 2022Updated 3 years ago
- PiNN2 is a easy-to-use framework for device compact modeling using physics-inspired neural networks☆16Jan 28, 2019Updated 7 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 5 months ago
- Useful scripts in Computaional Material Science.☆23Apr 13, 2026Updated 2 weeks ago