Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen
☆16Feb 17, 2021Updated 5 years ago
Alternatives and similar repositories for VQE
Users that are interested in VQE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python quantum chemistry (experimental and test routines)☆13May 21, 2021Updated 4 years ago
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 4 years ago
- I Used the Variational Quantum Eigensolver (VQE) to find the ground state of a 4by4 matrix hamiltonian which we will use two qubits for i…☆15Nov 25, 2020Updated 5 years ago
- a python package for reduced density matrix techniques☆16Sep 4, 2020Updated 5 years ago
- VQE Dissertation Project☆23Sep 26, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Quantum Chemistry☆23Feb 19, 2022Updated 4 years ago
- Tutorial on Variational Quantum Eigensolver (VQE). Originally created for QOSF Mentorship Screening Task Submission (Task 4, batch 2020).☆26Feb 1, 2021Updated 5 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Nov 10, 2025Updated 4 months ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 7 years ago
- Codes for learning how to numerically simulate quantum and classical mechanics☆17Apr 2, 2025Updated 11 months ago
- A python module and example scripts to perform molecular simulationts with the variational quantum eigensolver (VQE)☆29Jul 22, 2022Updated 3 years ago
- Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …☆22Dec 16, 2022Updated 3 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.
- ☆16Oct 5, 2023Updated 2 years ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 4 years ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆22Aug 12, 2025Updated 7 months ago
- A simple Density Matrix Renormalization Group program☆16Dec 29, 2025Updated 3 months ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆25Jan 5, 2026Updated 2 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆28Jan 4, 2026Updated 2 months ago
- A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…☆68Dec 29, 2025Updated 3 months ago
- pjz is JAX and fdtd-z -- scalable photonic simulation and optimization☆21Mar 27, 2024Updated 2 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆49Feb 1, 2025Updated last year
- 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.
- Hartree-Fock Python☆20Jan 14, 2023Updated 3 years ago
- A package includes various time-domain numerical solvers for the Maxwell's equations.☆14Jan 18, 2024Updated 2 years ago
- do the Fourier transform using the method of Padé approximants☆23Nov 4, 2024Updated last year
- The python code for creating the transfer function, sensitivity curve and PI curve in 1901.09624☆11Aug 30, 2021Updated 4 years ago
- Some python workbooks with various topics from Computational Physics☆64Mar 7, 2023Updated 3 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆38Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- Hands-on workshop showing good software development practices to create a Python package.☆43Mar 18, 2026Updated last week
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 9 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.
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆58Jan 10, 2026Updated 2 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Global analysis platform for fluorescence data☆12Updated this week
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- Machine learning tools for Chemistry☆10Jan 5, 2018Updated 8 years ago
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- Kaleidoscope - Visualizations for quantum computing.☆25Jul 23, 2024Updated last year