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.☆70May 27, 2026Updated 3 months ago
- ☆19Jul 25, 2022Updated 4 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 4 months ago
- Open source stochastic quantum chemistry☆81Dec 17, 2025Updated 8 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.
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- libDMET with quantum computing chemistry solvers of UCCSD☆16Apr 19, 2023Updated 3 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆25Updated this week
- ☆70Jun 15, 2025Updated last year
- Generic C++ code for replica exchange determinantal quantum Monte Carlo (DQMC) simulations of strongly correlated itinerant electron syst…☆21Jun 10, 2017Updated 9 years ago
- ☆15Feb 20, 2025Updated last year
- MRH's research code☆32Updated this week
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- 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
- 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.
- ☆19Aug 9, 2026Updated 3 weeks ago
- ☆10Oct 30, 2023Updated 2 years ago
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆399Updated this week
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- Python bindings for TBLIS☆19Aug 16, 2026Updated 2 weeks ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 10 months ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 8 months ago
- Worm Algorithm for Bose-Hubbard and XXZ models☆32Aug 16, 2026Updated 2 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 10 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56May 18, 2026Updated 3 months ago
- ☆18Nov 25, 2021Updated 4 years ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 3 years ago
- Determinant quantum Monte Carlo applied to the Hubbard model☆47Feb 16, 2022Updated 4 years ago
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆22May 26, 2026Updated 3 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46May 29, 2026Updated 3 months ago
- ☆11Mar 13, 2021Updated 5 years ago
- User-friendly but high-performance code for simulating Variational Quantum Eigensolvers for the Heisenberg model on any lattice. It is de…☆19Nov 28, 2023Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 4 years 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.
- A Wick theorem kernel written in C++ and interfaced with Python☆53Feb 1, 2025Updated last year
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆21Aug 17, 2026Updated last week
- Pseudopotential Studio☆21May 6, 2021Updated 5 years ago
- General purpose stochastic series expansion quantum Monte Carlo code.☆27Dec 5, 2025Updated 8 months ago
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆46Jun 17, 2022Updated 4 years ago