Python Based Auxiliary-Field Quantum Monte Carlo
☆27Dec 11, 2023Updated 2 years ago
Alternatives and similar repositories for pauxy
Users that are interested in pauxy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆64Mar 7, 2026Updated 3 weeks ago
- ☆19Jul 25, 2022Updated 3 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Mar 23, 2026Updated last week
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- ☆13Feb 20, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 8 months ago
- Open source stochastic quantum chemistry☆80Dec 17, 2025Updated 3 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- libDMET with quantum computing chemistry solvers of UCCSD☆16Apr 19, 2023Updated 2 years ago
- Generic C++ code for replica exchange determinantal quantum Monte Carlo (DQMC) simulations of strongly correlated itinerant electron syst…☆21Jun 10, 2017Updated 8 years ago
- ☆67Jun 15, 2025Updated 9 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 5 months ago
- MRH's research code☆26Mar 23, 2026Updated last week
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Fast low-rank updates (LRU) of matrix determinants and pfaffians in JAX☆20Feb 6, 2026Updated last month
- Stochastic Series Expansion (SSE) for a isotropic S=1/2 antiferromagnetic quantum Heisenberg model in 1D, 2D or 3D lattice . Every lattic…☆15Jan 23, 2021Updated 5 years ago
- ☆13Mar 19, 2026Updated last week
- ☆10Oct 30, 2023Updated 2 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆383Mar 21, 2026Updated last week
- Worm Algorithm for Bose-Hubbard and XXZ models☆32Apr 4, 2023Updated 2 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 3 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 5 months ago
- ☆18Nov 25, 2021Updated 4 years ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 2 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56Jun 20, 2023Updated 2 years ago
- Open Orbital Optimizer☆34Jan 25, 2026Updated 2 months ago
- Determinant quantum Monte Carlo applied to the Hubbard model☆46Feb 16, 2022Updated 4 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆49Feb 1, 2025Updated last year
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Mar 23, 2026Updated last week
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- User-friendly but high-performance code for simulating Variational Quantum Eigensolvers for the Heisenberg model on any lattice. It is de…☆20Nov 28, 2023Updated 2 years ago
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆43Jun 17, 2022Updated 3 years ago
- Pseudopotential Studio☆21May 6, 2021Updated 4 years ago
- General purpose stochastic series expansion quantum Monte Carlo code.☆25Dec 5, 2025Updated 3 months ago
- Modular computation tool chain library☆22Mar 4, 2026Updated 3 weeks ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆21Feb 14, 2026Updated last month