WanTiBEXOS code repository
☆17Apr 1, 2026Updated last month
Alternatives and similar repositories for wantibexos
Users that are interested in wantibexos are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- General purpose Slater-Koster tight-binding library for electronic structure calculations☆21Oct 21, 2025Updated 6 months ago
- Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum☆29Nov 7, 2025Updated 6 months ago
- A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO☆18Feb 23, 2026Updated 2 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated 2 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆15Jul 30, 2025Updated 9 months ago
- AI Agents on 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.
- Modified Shepard Algorithm for Interpolation of Scattered Multivariate Data☆11May 28, 2022Updated 3 years ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Apr 21, 2026Updated 2 weeks ago
- Add on-site SOC to Wannier Hamiltonian.☆19Mar 24, 2021Updated 5 years ago
- DensityTool post-processing program for VASP☆31Nov 29, 2023Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- ☆15Apr 8, 2023Updated 3 years ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆36Jan 24, 2026Updated 3 months ago
- ☆20Jan 22, 2022Updated 4 years ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆15Oct 20, 2025Updated 6 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.
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆39Feb 10, 2026Updated 2 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆36Jan 6, 2026Updated 4 months ago
- ☆10Sep 26, 2025Updated 7 months ago
- A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations☆31Jul 11, 2025Updated 9 months ago
- A playground for Wannier functions☆41Apr 20, 2026Updated 2 weeks ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆62Updated this week
- ☆75Sep 27, 2023Updated 2 years ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Apr 13, 2026Updated 3 weeks ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- 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.
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- D3Q + thermal2☆26Nov 3, 2025Updated 6 months ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- Simple python code to interactively generate visualizations of moire patterns of hexagonal lattices such as magic angle bilayer graphene.☆76Mar 15, 2023Updated 3 years ago
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 2 years ago
- An accelerated version of PythTB powered by numba for solving tight-binding models in Condensed Matter Physics.☆20Aug 23, 2021Updated 4 years ago
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆24Oct 28, 2024Updated last year
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆14Sep 22, 2025Updated 7 months ago
- Python version ofthe BandUP code☆28Oct 14, 2024Updated last year
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆28Dec 30, 2025Updated 4 months ago
- Occupation matrix control modification VASP☆56Sep 11, 2019Updated 6 years ago
- Library for numerically solving the Gross-Pitaevskii equations for scalar, two-component, spin-1, and spin-2 Bose-Einstein condensate sy…☆15Dec 22, 2024Updated last year
- Adaptive numerical solution of Kadanoff-Baym equations☆30Mar 29, 2026Updated last month
- A Python program for calculating the surface SHG yield for semiconductors.☆20Sep 15, 2025Updated 7 months ago