Quantum chemistry module for quantum computing with Qibo
Project description
Qibochem
Qibochem is a plugin to Qibo for quantum chemistry simulations.
Qibochem key features
- General purpose Molecule class
- PySCF or Psi4 for calculation of 1- and 2-electron integrals
- User defined orbital active space
- Unitary Coupled Cluster Ansatz
- Various Qibo backends (numpy, JIT, TN) for efficient simulation
Installation
Using poetry
git clone https://github.com/qiboteam/qibochem.git
cd qibochem
poetry install
Contributing
Contributions, issues and feature requests are welcome.
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