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Quantum Chemistry and Computing for the Curious

You're reading from  Quantum Chemistry and Computing for the Curious

Product type Book
Published in May 2022
Publisher Packt
ISBN-13 9781803243900
Pages 354 pages
Edition 1st Edition
Languages
Authors (3):
Alex Khan Alex Khan
Profile icon Alex Khan
Keeper L. Sharkey Keeper L. Sharkey
Profile icon Keeper L. Sharkey
Alain Chancé Alain Chancé
Profile icon Alain Chancé
View More author details

Table of Contents (14) Chapters

Preface 1. Chapter 1: Introducing Quantum Concepts 2. Chapter 2: Postulates of Quantum Mechanics 3. Chapter 3: Quantum Circuit Model of Computation 4. Chapter 4: Molecular Hamiltonians 5. Chapter 5: Variational Quantum Eigensolver (VQE) Algorithm 6. Chapter 6: Beyond Born-Oppenheimer 7. Chapter 7: Conclusion 8. Chapter 8: References
9. Chapter 9:Glossary
10. Other Books You May Enjoy Appendix A: Readying Mathematical Concepts 1. Appendix B: Leveraging Jupyter Notebooks on the Cloud 2. Appendix C: Trademarks

Technical requirements

A companion Jupyter notebook for this chapter can be downloaded from GitHub at https://github.com/PacktPublishing/Quantum-Chemistry-and-Computing-for-the-Curious, which has been tested in the Google Colab environment, which is free and runs entirely in the cloud, and in the IBM Quantum Lab environment. Please refer to Appendix B – Leveraging Jupyter Notebooks in the Cloud, for more information. The companion Jupyter notebook automatically installs the following list of libraries:

  • Numerical Python (NumPy) [NumPy], an open-source Python library that is used in almost every field of science and engineering
  • SymPy, [SymPy] a Python library for symbolic mathematics
  • Qiskit [Qiskit], an open-source SDK for working with quantum computers at the level of pulses, circuits, and application modules
  • Qiskit visualization support to enable the use of its visualization functionality and Jupyter notebooks

Install NumPy using the following command:

pip install numpy

Install SymPy using the following command:

pip install sympy

Install Qiskit using the following command:

pip install qiskit

Install Qiskit visualization support using the following command:

pip install 'qiskit[visualization]'

Import math libraries using the following commands:

import cmath
import math
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Quantum Chemistry and Computing for the Curious
Published in: May 2022 Publisher: Packt ISBN-13: 9781803243900
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