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.

Contents

Introduction

• Getting started
  • Quick start
  • Installation instructions
• Tutorials
  • Building a Molecule
  • Molecular Hamiltonian
  • Ansatz
  • Expectation from samples
  • Adaptive methods

Main Documentation

• API Reference
  • Molecule
  • Ansatz
  • Measurement
• Developer Guides
  • Code overview
  • How to contribute?

Appendix

• Publications
  • Software References in Zenodo
  • Authorship Guideline

Documentation links

• Qibo docs
• Qibolab docs
• Qibocal docs
• Qibosoq docs
• Qibochem docs
• Qibotn docs
• Qibo-cloud-backends docs

Indices and tables

• Index

• Search Page