WanTiBEXOS code repository
☆18Jun 6, 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 8 months ago
- Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum☆31Nov 7, 2025Updated 8 months ago
- A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO☆19Feb 23, 2026Updated 4 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 4 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆15May 18, 2026Updated last month
- 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.
- Modified Shepard Algorithm for Interpolation of Scattered Multivariate Data☆11May 28, 2022Updated 4 years ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jun 22, 2026Updated 2 weeks ago
- Add on-site SOC to Wannier Hamiltonian.☆18Mar 24, 2021Updated 5 years ago
- DensityTool post-processing program for VASP☆32Nov 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).☆36Jun 7, 2026Updated last month
- ☆20Jan 22, 2022Updated 4 years ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆16Oct 20, 2025Updated 8 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆43Feb 10, 2026Updated 4 months ago
- ☆10Sep 26, 2025Updated 9 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆38May 19, 2026Updated last month
- A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations☆31Jun 20, 2026Updated 2 weeks ago
- A playground for Wannier functions☆42Jun 8, 2026Updated last month
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆63Jun 30, 2026Updated last week
- ☆78Sep 27, 2023Updated 2 years ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Apr 13, 2026Updated 2 months ago
- Embedding module for VASP and tools for its use.☆10Jul 1, 2026Updated last week
- 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.
- 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☆28Jun 8, 2026Updated last month
- 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.☆78Mar 15, 2023Updated 3 years ago
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 3 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.☆25Oct 28, 2024Updated last year
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- 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.
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated last month
- Python version ofthe BandUP code☆28Jul 1, 2026Updated last week
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆30Dec 30, 2025Updated 6 months ago
- Occupation matrix control modification VASP☆58Sep 11, 2019Updated 6 years ago
- Adaptive numerical solution of Kadanoff-Baym equations☆30Jun 18, 2026Updated 3 weeks ago
- A Python program for calculating the surface SHG yield for semiconductors.☆21Sep 15, 2025Updated 9 months ago
- Modeling light transport in turbid media☆13Dec 3, 2023Updated 2 years ago