Documentation at https://qiskit-community.github.io/qiskit-nature-pyscf/
☆22Aug 12, 2025Updated 7 months ago
Alternatives and similar repositories for qiskit-nature-pyscf
Users that are interested in qiskit-nature-pyscf are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Qiskit Application Benchmarks☆27Aug 16, 2023Updated 2 years ago
- Qiskit Nature is an open-source, quantum computing, framework for solving quantum mechanical natural science problems.☆376Dec 12, 2025Updated 3 months ago
- Ab Initio Energies☆10Nov 22, 2025Updated 4 months ago
- Multi-collinear functional☆10Feb 12, 2026Updated last month
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- A library of quantum algorithms for Qiskit.☆176Dec 15, 2025Updated 3 months ago
- libDMET with quantum computing chemistry solvers of UCCSD☆16Apr 19, 2023Updated 2 years ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jan 31, 2023Updated 3 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 7 years ago
- A Wannier90 python interface for VASP and PySCF☆42Oct 21, 2025Updated 5 months ago
- ☆15Nov 13, 2022Updated 3 years ago
- A project on Fourier grid Hamiltonian method and Quantum Monte Carlo method☆17Dec 12, 2016Updated 9 years ago
- A Stabilizer Circuit Simulator, Based Originally on the Anders and Briegel Algorithm (arxiv:quant-ph/0504117v2)☆11Nov 1, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆33Jan 8, 2025Updated last year
- Tools for optimizing quantum circuits and for performing rescaling-based error mitigation.☆10Jun 21, 2022Updated 3 years ago
- ☆55Sep 12, 2024Updated last year
- Research using Qiskit.☆71Aug 25, 2025Updated 7 months ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆48Oct 2, 2020Updated 5 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- ☆16Updated this week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56Jun 20, 2023Updated 2 years ago
- A plugin to use Nvidia GPU in PySCF package☆285Mar 21, 2026Updated last week
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- ☆29Aug 14, 2022Updated 3 years ago
- A toolbox for the implementation of positive operator-valued measures (POVMs).☆38Mar 10, 2026Updated 2 weeks ago
- Importer from OpenQASM 3 to Qiskit's QuantumCircuit☆27Mar 3, 2026Updated 3 weeks ago
- Utilities for Caltech course BE 150☆25Nov 24, 2023Updated 2 years ago
- A module for simulating chemical and physical systems using a Variational Quantum Eigensolver (VQE) enhanced by Entanglement Forging.☆33Mar 7, 2024Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 9 months ago
- Sample-based Quantum Diagonalization: Classically postprocess noisy quantum samples to yield more accurate eigenvalue estimations.☆83Mar 2, 2026Updated 3 weeks ago
- Sze Tan's Quantum Optics Toolbox for MATLAB. Here mostly for archival purposes. It's homepage http://qo.phy.auckland.ac.nz/toolbox/☆18Dec 21, 2012Updated 13 years ago
- Zero Noise Extrapolation (ZNE) prototype for error mitigation on the Qiskit Estimator primitive☆36Feb 26, 2025Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Compute dynamic properties of chemical systems using ring polymer molecular dynamics simulations☆10Mar 21, 2013Updated 13 years ago
- Aer is a high performance simulator for quantum circuits that includes noise models☆646Feb 26, 2026Updated last month
- MRH's research code☆26Updated this week
- Coupled-cluster package written in Python.☆48Nov 17, 2025Updated 4 months ago
- Qiskit provider for Quantinuum backends.☆25Mar 13, 2025Updated last year
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆28Apr 13, 2023Updated 2 years ago
- ☆10Jul 27, 2022Updated 3 years ago