☆24Aug 16, 2018Updated 7 years ago
Alternatives and similar repositories for pythTB
Users that are interested in pythTB are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Time-reversal Euclidean neural networks based on e3nn☆19Sep 29, 2024Updated last year
- An accelerated version of PythTB powered by numba for solving tight-binding models in Condensed Matter Physics.☆20Aug 23, 2021Updated 4 years ago
- Collection of commonly used Green's functions and utilities☆21Updated this week
- Scripts, codes, and initial structures required to reproduce the phase diagram of monolayer nanoconfined water.☆12Aug 1, 2023Updated 2 years ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆29Oct 15, 2025Updated 8 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and inclu…☆137Jun 23, 2026Updated 2 weeks ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆58Mar 12, 2026Updated 3 months ago
- General purpose Slater-Koster tight-binding library for electronic structure calculations☆21Oct 21, 2025Updated 8 months ago
- ☆24Oct 8, 2025Updated 9 months ago
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆16Dec 18, 2025Updated 6 months ago
- A tool for calculating topological invariants.☆98Feb 20, 2025Updated last year
- DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a modular and extensible bridge, function…☆37Updated this week
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆13May 13, 2019Updated 7 years ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆20Dec 4, 2025Updated 7 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Tight-binding package written in Julia☆63Nov 19, 2023Updated 2 years ago
- Library for quantum interacting systems using DMFT☆14Sep 1, 2018Updated 7 years ago
- Implementation of the tetrahedron method for Brillouin zone summation☆12Jan 12, 2017Updated 9 years ago
- ☆78Sep 27, 2023Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 3 years ago
- ☆19Jan 27, 2020Updated 6 years ago
- Band alignment plotting tool☆27Mar 28, 2025Updated last year
- KITE Quantum Transport Software☆37Oct 6, 2025Updated 9 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆134May 26, 2026Updated last month
- 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.
- Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamic…☆23Jun 30, 2026Updated last week
- Extended DeepH (xDeepH) method for magnetic materials.☆40Jun 14, 2023Updated 3 years ago
- Course AMAT5315: Advanced scientific computing, the website and Julia notebooks☆36Dec 26, 2023Updated 2 years ago
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago
- A tool for constructing accurate machine learning force fields in moir\'e systems☆19Feb 12, 2026Updated 4 months ago
- A library combining solid quantum Monte Carlo and neural network.☆53Dec 10, 2024Updated last year
- Deep neural networks for density functional theory Hamiltonian.☆334Oct 7, 2024Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆52Nov 6, 2025Updated 8 months ago
- ☆80Updated this week
- 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.
- Massively Parallel Lanczos based solver for quantum impurity problems, published in Computer Physics Communication (see link)☆18May 21, 2025Updated last year
- A short lecture introducing plane-wave DFT methods and DFTK☆13Jun 20, 2022Updated 4 years ago
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- Scientific Python package for tight-binding calculations in solid state physics☆212Oct 15, 2023Updated 2 years ago
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆49Updated this week
- Advanced tool for Wannier interpolation and integration of k-space integrals☆120Jul 1, 2026Updated last week
- ☆22Jun 15, 2021Updated 5 years ago