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InQuanto 5.1.0
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InQuanto 5.1.0

Introduction

  • What is InQuanto?
  • Installation
    • System Requirements
    • Troubleshooting
  • Quick-start

User Guide

  • How to use InQuanto
  • Algorithms
    • Variational Algorithms
      • Variational Quantum Eigensolver AlgorithmVQE
      • Variational Quantum Deflation AlgorithmVQD
      • ADAPT-VQE
    • Non-variational and Phase Estimation algorithms
      • Quantum Subspace Expansion AlgorithmQSE
      • Quantum Self Consistent Equation of Motion AlgorithmSCEOM
      • Canonical Quantum Phase Estimation AlgorithmDeterministicQPE
      • Iterative Phase Estimation Algorithms
    • Time evolution algorithms
      • AlgorithmVQS, AlgorithmMcLachlanRealTime and AlgorithmMcLachlanImagTime
  • Computables
    • Basic Usage and Composability
    • Evaluating Computables with Protocols
    • Composite Computables
      • Krylov subspace & Green’s functions
      • Reduced Density Matrices
      • Overlap Matrices & Non-Orthogonal Subspaces
    • Primitive Computables
    • Custom Computables & Partial Evaluations
  • Protocols
    • Protocols for expectation values
    • Protocols for overlap squared
    • Protocols for overlaps
    • Protocols for derivatives
    • Other averaging protocols
    • Protocols for Phase Estimation
    • Resource estimation
  • Noise mitigation
  • Spaces, Operators, and States
  • Ansatzes
    • The UCC Family
    • Chemically Aware Ansatz
    • Trotter Ansatz
    • Fermionic Exponentiated Ansatz
    • Unitary Product State
    • Circuit Ansatz
    • Composed Ansatz
    • Hardware Efficient Ansatz
    • Multiconfiguration States Using Givens Rotations
    • Real Basis Rotation Ansatzes
  • Symmetry
  • Geometry
  • Classical Minimizers
  • Density Matrix Embedding Theory
  • Express

Trainings

  • Tutorials
    • Core Tutorials
      • A basic VQE simulation
      • Extended VQE
      • Variational Quantum Deflation for excited states
      • Visualization with inquanto-nglview
    • Backend Tutorials
      • Backends Overview
      • Tutorial: InQuanto + qnexus
      • Running on the Aer simulator
      • Circuit Compilation
      • Running on Quantinuum Backends
      • Quantinuum Systems - Launching circuits and retrieving results
      • Quantinuum Systems - Quantum Subspace Expansion
    • Case Study Tutorials - Fe4N2
      • Fe4N2 - 1 - system construction with AVAS and CASSCF
      • Fe4N2 - 2 - circuit construction with ADAPT-VQE
      • Fe4N2 - 3 - calculations on Quantinuum hardware
    • Fragmentation Tutorials
      • Tackling larger systems with fragmentation
      • Projection-based embedding
      • NEVPT2 and AC0 energy corrections
      • Projection-based embedding with energy corrections
  • Knowledge Articles
    • Demonstration of Quantum Error-Corrected Quantum Phase Estimation
  • Examples

Extensions User Guide

  • Extensions overview
  • InQuanto-Nexus
  • InQuanto-PySCF
  • InQuanto-NGLView
  • InQuanto-Phayes
  • Extensions examples

API Reference

  • InQuanto
    • inquanto.algorithms
    • inquanto.ansatzes
    • inquanto.computables
    • inquanto.core
    • inquanto.embeddings
    • inquanto.experiments
      • Demonstration of Quantum Error-Corrected Quantum Phase Estimation
    • inquanto.express
    • inquanto.geometries
    • inquanto.mappings
    • inquanto.minimizers
    • inquanto.operators
    • inquanto.protocols
    • inquanto.spaces
    • inquanto.states
    • inquanto.symmetry
  • InQuanto-Extensions
    • InQuanto-Nexus
    • InQuanto-PySCF
    • InQuanto-NGLView
    • InQuanto-Phayes
    • InQuanto-cuTensorNet

Support

  • Release Notes
  • Bibliography
  • Contact Support
  • How to cite InQuanto
  • License and Notices
  • Open-source Attribution
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Fragmentation Tutorials¶

These tutorials demonstrate how to construct small subsystems which can be evaluated with wave function / quantum computational methods whilst interacting with a larger environment.

DMET

Tackling larger systems with fragmentation

download

WF-in-DFT

Projection-based embedding

download

NEVPT2 + AC0 corrections

NEVPT2 and AC0 energy corrections

download

WFT-in-DFT + NEVPT2 or AC0

Projection-based embedding with energy corrections

download

Next
Tackling larger systems with fragmentation
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Fe4N2 - 3 - calculations on Quantinuum hardware
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