What is Qibochem?#


Qibochem is a plugin to Qibo for quantum chemistry simulations.

Key features of Qibochem:

  • General purpose Molecule class

    • effective Hamiltonian construction for active space

    • inline or .xyz file input for molecular geometry

  • Calculation of 1- and 2-electron integrals with PySCF

  • Unitary Coupled Cluster Ansatz

How to Use the Documentation#

Welcome to the comprehensive documentation for Qibochem! This guide will help you navigate through the various sections and make the most of the resources available.

  1. Getting started: Begin by referring to the Getting started guide to set up the Qibochem library in your environment.

  2. Tutorials: Explore the Tutorials section for a range of tutorials that cater to different levels of expertise. These tutorials cover basic examples, advanced examples and tutorials with algorithm for specific applications.

  3. API Documentation: Dive into the API Reference section, which offers a detailed overview of the main components that constitute the Qibochem API. This section provides a comprehensive understanding of the key elements, helping you build a holistic view of the API’s capabilities.


Indices and tables#