Density matrix embedding theory for periodic systems
☆19Dec 3, 2021Updated 4 years ago
Alternatives and similar repositories for pDMET
Users that are interested in pDMET are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A library of density matrix embedding theory (DMET).☆43Jan 26, 2025Updated last year
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆51Mar 31, 2026Updated 3 months ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- A Fortran90 program for unfolding phonon dispersions☆11Jun 12, 2020Updated 6 years ago
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 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.
- ☆19Jul 25, 2022Updated 3 years ago
- Monte Carlo Modeling of Secondary Electron Emission using fully DFT input☆22Mar 2, 2023Updated 3 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆40Apr 30, 2026Updated 2 months ago
- ☆11Mar 13, 2021Updated 5 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 8 months ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 2 years ago
- A Wannier90 python interface for VASP and PySCF☆43Oct 21, 2025Updated 8 months 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.
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆20May 15, 2026Updated 2 months ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- Embedding module for VASP and tools for its use.☆10Jul 1, 2026Updated 2 weeks ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 4 years ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 3 years ago
- Abinitio Dynamical Vertex Approximation☆16Dec 17, 2019Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jun 22, 2026Updated 3 weeks ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Sep 5, 2023Updated 2 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Exact diagonalization solver for quantum electron models☆25May 20, 2026Updated 2 months ago
- Main repository for the CP-PAW code☆12Jun 1, 2026Updated last month
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python 2.7 vers…☆16Apr 1, 2024Updated 2 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 8 months ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆15Apr 18, 2023Updated 3 years 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.
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 2 months ago
- This is a GPU optimized version of ShengBTE.☆20Oct 3, 2024Updated last year
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- Library for simplifying linear spin wave calculations.☆16Oct 21, 2019Updated 6 years ago
- Equilibrium ED solver for finite fermionic models that can compute Keldysh Green's functions☆15Jun 4, 2026Updated last month
- ☆33May 20, 2025Updated last year
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 7 months ago