block-hczhai / block2-preview
Efficient parallel quantum chemistry DMRG in MPO formalism
☆71Updated this week
Alternatives and similar repositories for block2-preview:
Users that are interested in block2-preview are comparing it to the libraries listed below
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 4 months ago
- ☆46Updated 4 months ago
- ☆48Updated this week
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆33Updated last month
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆56Updated last month
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆34Updated last year
- Quantum dynamics package based on tensor network states☆54Updated last month
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆80Updated 7 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆44Updated last year
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)☆16Updated this week
- ☆49Updated 4 months ago
- ☆23Updated 3 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 2 years ago
- Coupled-cluster package written in Python.☆35Updated this week
- A relaxed kp model of twisted bilayer graphene☆45Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆38Updated 4 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆32Updated 2 weeks ago
- ☆55Updated this week
- pyblock3: an efficient python block-sparse tensor library☆21Updated 7 months ago
- MRH's research code☆21Updated this week
- Python Based Auxiliary-Field Quantum Monte Carlo☆26Updated last year
- Files for QMC Workshop 2021☆56Updated 3 years ago
- Tight-binding package written in Julia☆55Updated last year
- Python library for real space quantum Monte Carlo☆85Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year