Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
☆39Aug 23, 2026Updated last month
Alternatives and similar repositories for fcdmft
Users that are interested in fcdmft 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
- Python bindings for TBLIS☆19Sep 14, 2026Updated last month
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 3 years ago
- Density matrix embedding theory for periodic systems☆19Dec 3, 2021Updated 4 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated 5 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.
- ☆19Aug 9, 2026Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- ☆19Jul 25, 2022Updated 4 years ago
- ☆23Mar 11, 2023Updated 3 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated 11 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- 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
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 11 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.
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 13 years ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 5 months ago
- Quantum Chemistry Course @ BNU2021☆23Sep 22, 2022Updated 4 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆43Sep 23, 2026Updated 2 weeks ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆14Oct 7, 2019Updated 7 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆52Mar 31, 2026Updated 6 months ago
- Main repository for the CP-PAW code☆14Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- Pseudopotential Studio☆22May 6, 2021Updated 5 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 11 months ago
- Python library for real space quantum Monte Carlo☆101Aug 27, 2026Updated last month
- ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or …☆36Dec 7, 2023Updated 2 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆56Updated this week
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- DMFT software for CORrelated Electrons☆50Updated this week
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 6 years ago
- An implementation of the Three-Legged Tree Tensor Network algorithm☆15Sep 15, 2021Updated 5 years ago
- 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.
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆22Sep 15, 2026Updated 3 weeks ago
- ☆15Jan 7, 2026Updated 9 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆128Updated this week
- ☆73Jun 15, 2025Updated last year
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago