interacting Dynamic Electrons Approach
☆31Sep 9, 2026Updated last month
Alternatives and similar repositories for iDEA
Users that are interested in iDEA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆25Sep 14, 2026Updated 3 weeks ago
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Sep 28, 2026Updated last week
- An open source program for the description of metastable electronic states in molecules.☆25Apr 27, 2026Updated 5 months ago
- Open Orbital Optimizer☆38Aug 26, 2026Updated last month
- ☆13Aug 19, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 5 months ago
- Official Repository of the Optados code☆25Nov 14, 2025Updated 10 months ago
- ☆15Aug 3, 2026Updated 2 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Library for Green’s function based electronic structure theory calculations☆29Apr 16, 2026Updated 5 months ago
- The official AiiDA plugin for Phonopy☆24Aug 17, 2026Updated last month
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years 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.
- A conda-smithy repository for lammps.☆10Sep 21, 2026Updated 2 weeks ago
- Machine learning for molecules workshop 2022☆13Nov 30, 2022Updated 3 years ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- ☆15Feb 20, 2025Updated last year
- Tools for machine learnt interatomic potentials☆51Updated this week
- Two-Dimensional Finite Difference Hartree-Fock Program☆19Feb 14, 2025Updated last year
- Create searchable PDFs via optical character recognition☆16Jan 31, 2025Updated last year
- ☆12May 13, 2022Updated 4 years ago
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆10Jul 20, 2026Updated 2 months 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.
- Python implementation of electronic structure theories for simulating spectroscopic properties☆26Updated this week
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated 6 months ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- gammcor code☆12Sep 29, 2026Updated last week
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated 3 months ago
- The MRPA++ computer code simulates neutron scattering and superconductivity in correlated electron systems. It uses a random-phase approx…☆14May 11, 2026Updated 5 months ago
- Graph-and-node based workflows☆23Oct 3, 2026Updated last week
- Thermodynamics of solids in the quasiharmonic approximation.☆39Apr 1, 2026Updated 6 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 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.
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆22Oct 1, 2026Updated last week
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆18Aug 24, 2025Updated last year
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆56Updated this week
- AiiDA Web API for data queries and workflow management.☆11Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆34Sep 30, 2026Updated last week
- This JSON schema defines how to exchange material sampling test results across supply chains fullfilling the VDA 231-301 recommendation.☆18Updated this week