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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

Preface

"Learning is finding out what you already know. Doing is demonstrating that you know it. Teaching is reminding others that they know just as well as you. You are all learners, doers, teachers."

– Richard Bach

Figure 0.1 – Learning quantum computing and quantum chemistry [authors]

This book aims to demystify quantum chemistry and computing, discuss the future of quantum technologies based on current limitations, demonstrate the usefulness and shortcomings of the current implementations of quantum theory, and share our love of the topic.

This book is not a traditional presentation of quantum chemistry nor quantum computing, but rather an explanation of how the two topics intertwine through the illustration of the postulates of quantum mechanics, particularly with Python code and open-source quantum chemistry packages.

Quantum chemistry has many applications in industry, from pharmaceutical design to energy creation and the development of quantum computing in recent years. With adequate knowledge of quantum chemistry and the postulates of quantum mechanics, we can overcome some of the major hurdles humanity faces and achieve positive impacts. We hope that you can learn sufficient details to be a part of the new and productive solutions moving forward.

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