A library of density matrix embedding theory (DMET).
☆43Jan 26, 2025Updated last year
Alternatives and similar repositories for libdmet_preview
Users that are interested in libdmet_preview are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Aug 23, 2026Updated 2 months ago
- Density matrix embedding theory for periodic systems☆19Dec 3, 2021Updated 4 years ago
- ☆11Mar 13, 2021Updated 5 years ago
- ☆19Jul 25, 2022Updated 4 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆52Mar 31, 2026Updated 7 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.
- Python bindings for TBLIS☆19Sep 14, 2026Updated last month
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated 5 months ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- ☆19Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated last year
- Efficient parallel quantum chemistry DMRG in MPO formalism☆128Oct 7, 2026Updated 3 weeks ago
- SOC integrals generator with atomic mean field approximation☆12Apr 26, 2026Updated 6 months ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 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.
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 3 years ago
- Tensor Framework for Cyclic Symmetry☆18Aug 30, 2022Updated 4 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆23Updated this week
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆14Oct 7, 2019Updated 7 years ago
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- MOHA: MOlecular HAmiltonian☆15May 31, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- libDMET with quantum computing chemistry solvers of UCCSD☆16Apr 19, 2023Updated 3 years ago
- A versatile Gutzwiller solver to optimize the single Slater determinant and local many-body degrees of freedom simultaneously within the …☆16Mar 19, 2020Updated 6 years ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jun 11, 2026Updated 4 months ago
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 6 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆22Sep 15, 2026Updated last month
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- An implementation of the Three-Legged Tree Tensor Network algorithm☆15Sep 15, 2021Updated 5 years ago
- DMFT software for CORrelated Electrons☆50Updated this week
- 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.
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 6 years ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- A Matlab implementation of the Hierarchical Equations of Motion (HEOM) method for modelling open system quantum dynamics.☆11Jun 4, 2025Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆35Updated this week
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- pyblock3: an efficient python block-sparse tensor library