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Quantum Chemistry and Computing for the Curious
Quantum Chemistry and Computing for the Curious

Quantum Chemistry and Computing for the Curious: Illustrated with Python and Qiskit® code

By Alex Khan , Keeper L. Sharkey , Alain Chancé
$40.99 $27.99
Book May 2022 354 pages 1st Edition
eBook
$40.99 $27.99
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eBook
$40.99 $27.99
Print
$41.99
Subscription
$15.99 Monthly

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Product Details


Publication date : May 20, 2022
Length 354 pages
Edition : 1st Edition
Language : English
ISBN-13 : 9781803243900
Category :
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Quantum Chemistry and Computing for the Curious

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Key benefits

  • Be at the forefront of a quest for increased accuracy in chemistry applications and computing
  • Get familiar with some open source quantum chemistry packages to run your own experiments
  • Develop awareness of computational chemistry problems by using postulates of quantum mechanics

Description

Explore quantum chemical concepts and the postulates of quantum mechanics in a modern fashion, with the intent to see how chemistry and computing intertwine. Along the way you’ll relate these concepts to quantum information theory and computation. We build a framework of computational tools that lead you through traditional computational methods and straight to the forefront of exciting opportunities. These opportunities will rely on achieving next-generation accuracy by going further than the standard approximations such as beyond Born-Oppenheimer calculations. Discover how leveraging quantum chemistry and computing is a key enabler for overcoming major challenges in the broader chemical industry. The skills that you will learn can be utilized to solve new-age business needs that specifically hinge on quantum chemistry

What you will learn

Understand mathematical properties of the building blocks of matter Run through the principles of quantum mechanics with illustrations Design quantum gate circuit computations Program in open-source chemistry software packages such as Qiskit® Execute state-of-the-art-chemistry calculations and simulations Run companion Jupyter notebooks on the cloud with just a web browser Explain standard approximations in chemical simulations

What do you get with eBook?

Product feature icon Instant access to your Digital eBook purchase
Product feature icon Download this book in EPUB and PDF formats
Product feature icon Access this title in our online reader with advanced features
Product feature icon DRM FREE - Read whenever, wherever and however you want
Buy Now

Product Details


Publication date : May 20, 2022
Length 354 pages
Edition : 1st Edition
Language : English
ISBN-13 : 9781803243900
Category :

Table of Contents

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

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