bytedance / libdmet_with_QCLinks
libDMET with quantum computing chemistry solvers of UCCSD
☆15Updated 2 years ago
Alternatives and similar repositories for libdmet_with_QC
Users that are interested in libdmet_with_QC are comparing it to the libraries listed below
Sorting:
- A library of density matrix embedding theory (DMET).☆36Updated 5 months ago
- pyblock3: an efficient python block-sparse tensor library☆28Updated last year
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆40Updated 4 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated 2 years ago
- A library combining solid quantum Monte Carlo and neural network.☆41Updated 7 months ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆57Updated 3 weeks ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Files for QMC Workshop 2021☆57Updated 3 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- Quantum dynamics package based on tensor network states☆60Updated 2 months ago
- Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.☆38Updated 2 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 2 months ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated this week
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated last month
- ☆53Updated 10 months ago
- Matrix product states (MPS) based density matrix renormalization group (DMRG)☆27Updated 2 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆85Updated last week
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- Reference implementation of GW☆13Updated 5 years ago
- A tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.☆22Updated 2 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last month
- ☆54Updated last month
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 5 years ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Updated 4 years ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python 2.7 vers…☆13Updated last year
- A Python package for wave function-based quantum embedding☆34Updated last week
- Python library for real space quantum Monte Carlo☆92Updated this week