Python code for conducting cluster-correlation expansion simulations of spin qubit dynamics
☆17Jul 29, 2026Updated 2 months ago
Alternatives and similar repositories for PyCCE
Users that are interested in PyCCE 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 code for conducting cluster-correlation expansion simulations of spin qubit dynamics.☆21Mar 7, 2024Updated 2 years ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 5 months ago
- pyblock3: an efficient python block-sparse tensor library☆30Sep 17, 2026Updated 3 weeks ago
- Molecular and crystal electromagnetic properties☆29May 5, 2025Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- FortranCL: a Fortran 90 interface for OpenCL☆11Jun 27, 2024Updated 2 years ago
- ☆61Oct 2, 2026Updated last week
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- WEST code☆36Aug 29, 2026Updated last month
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 9, 2026Updated last month
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- Discrete Truncated Wigner Approximation for any spin system☆16Jul 28, 2021Updated 5 years ago
- Mathematical & chemical routines e.g. nonlinear optimization etc. with c++ & python frontend☆12Oct 30, 2021Updated 4 years ago
- Amateurish molecular electronic structure program.(for linux)☆25Nov 1, 2016Updated 9 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.
- Code for "Best arm identification in multi-armed bandits with delayed feedback", AISTATS 2018.☆20Apr 3, 2018Updated 8 years ago
- ☆12Jun 11, 2026Updated 3 months ago
- A demonstration of Hartree Fock program☆14Jan 20, 2023Updated 3 years ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Sep 11, 2025Updated last year
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 4 years ago
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 8 months ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆15Apr 18, 2023Updated 3 years ago
- A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)☆23Jan 24, 2022Updated 4 years ago
- Machine-learning-driven VASP interface using MACE potentials☆52Sep 26, 2026Updated 2 weeks ago
- AI Agents on 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.
- Qbox public repository☆40Aug 26, 2026Updated last month
- Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training☆30Mar 7, 2025Updated last year
- Website documentation for the VeloxChem program.☆18Updated this week
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆76Jul 17, 2026Updated 2 months ago
- A test suite for the VASP electronic structure code☆39Jan 23, 2014Updated 12 years ago
- A Chrome extension to add Sci-HUB or Lib-Gen download icons to every DOI-link on the page, with various other small changes to make scien…☆20Oct 9, 2023Updated 3 years ago
- Official Repository of the Optados code☆25Nov 14, 2025Updated 10 months ago
- EigenKernel - a package of hybrid parallel solvers for eigenvalue problems☆15Jul 11, 2021Updated 5 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 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.
- MPSQD is a Python package based on matrix product states (MPS) to simulate both the time-dependent Schrodinger equation (TDSE) and the h…☆16Nov 14, 2024Updated last year
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 3 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆56Sep 30, 2026Updated last week
- ☆20Dec 13, 2018Updated 7 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 11 months ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆50Updated this week