Search icon CANCEL
Subscription
0
Cart icon
Your Cart (0 item)
Close icon
You have no products in your basket yet
Save more on your purchases! discount-offer-chevron-icon
Savings automatically calculated. No voucher code required.
Arrow left icon
All Products
Best Sellers
New Releases
Books
Videos
Audiobooks
Learning Hub
Newsletter Hub
Free Learning
Arrow right icon
timer SALE ENDS IN
0 Days
:
00 Hours
:
00 Minutes
:
00 Seconds
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

Arrow left icon
Profile Icon Keeper Layne Sharkey Profile Icon Alex Khan Profile Icon Chancé
Arrow right icon
$40.99
Full star icon Full star icon Full star icon Full star icon Half star icon 4.8 (15 Ratings)
eBook May 2022 354 pages 1st Edition
eBook
$40.99
Paperback
$41.99
Subscription
Free Trial
Renews at $12.99p/m
Arrow left icon
Profile Icon Keeper Layne Sharkey Profile Icon Alex Khan Profile Icon Chancé
Arrow right icon
$40.99
Full star icon Full star icon Full star icon Full star icon Half star icon 4.8 (15 Ratings)
eBook May 2022 354 pages 1st Edition
eBook
$40.99
Paperback
$41.99
Subscription
Free Trial
Renews at $12.99p/m
eBook
$40.99
Paperback
$41.99
Subscription
Free Trial
Renews at $12.99p/m

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
Product feature icon AI Assistant (beta) to help accelerate your learning
OR
Modal Close icon
Payment Processing...
tick Completed

Billing Address

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

Who is this book for?

Professionals interested in chemistry and computer science at the early stages of learning, or interested in a career of quantum computational chemistry and quantum computing, including advanced high school and college students. Helpful to have high school level chemistry, mathematics (algebra), and programming. An introductory level of understanding Python is sufficient to read the code presented to illustrate quantum chemistry and computing

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

Product Details

Country selected
Publication date, Length, Edition, Language, ISBN-13
Publication date : May 20, 2022
Length: 354 pages
Edition : 1st
Language : English
ISBN-13 : 9781803238593
Category :

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
Product feature icon AI Assistant (beta) to help accelerate your learning
OR
Modal Close icon
Payment Processing...
tick Completed

Billing Address

Product Details

Publication date : May 20, 2022
Length: 354 pages
Edition : 1st
Language : English
ISBN-13 : 9781803238593
Category :

Packt Subscriptions

See our plans and pricing
Modal Close icon
$12.99 billed monthly
Feature tick icon Unlimited access to Packt's library of 6,500+ practical books and videos
Feature tick icon Constantly refreshed with 50+ new titles a month
Feature tick icon Exclusive Early access to books as they're written
Feature tick icon Solve problems while you work with advanced search and reference features
Feature tick icon Offline reading on the mobile app
Feature tick icon Simple pricing, no contract
$129.99 billed annually
Feature tick icon Unlimited access to Packt's library of 6,500+ practical books and videos
Feature tick icon Constantly refreshed with 50+ new titles a month
Feature tick icon Exclusive Early access to books as they're written
Feature tick icon Solve problems while you work with advanced search and reference features
Feature tick icon Offline reading on the mobile app
Feature tick icon Choose a DRM-free eBook or Video every month to keep
Feature tick icon PLUS own as many other DRM-free eBooks or Videos as you like for just $5 each
Feature tick icon Exclusive print discounts
$179.99 billed in 18 months
Feature tick icon Unlimited access to Packt's library of 6,500+ practical books and videos
Feature tick icon Constantly refreshed with 50+ new titles a month
Feature tick icon Exclusive Early access to books as they're written
Feature tick icon Solve problems while you work with advanced search and reference features
Feature tick icon Offline reading on the mobile app
Feature tick icon Choose a DRM-free eBook or Video every month to keep
Feature tick icon PLUS own as many other DRM-free eBooks or Videos as you like for just $5 each
Feature tick icon Exclusive print discounts

Frequently bought together


Stars icon
Total $ 120.97
Dancing with Python
$48.99
Essential Mathematics for Quantum Computing
$29.99
Quantum Chemistry and Computing for the Curious
$41.99
Total $ 120.97 Stars icon
Visually different images

Customer reviews

Top Reviews
Rating distribution
Full star icon Full star icon Full star icon Full star icon Half star icon 4.8
(15 Ratings)
5 star 80%
4 star 20%
3 star 0%
2 star 0%
1 star 0%
Filter icon Filter
Top Reviews

Filter reviews by




Tiny Jun 08, 2022
Full star icon Full star icon Full star icon Full star icon Full star icon 5
Quantum computing and the mechanics underlying those concepts is one of my favorite side interests. I love learning about fantastic natural possibilities and Quantum Chemistry and Computing for the Curious is a great option for that. Don’t let the math intimidate your pursuit, if you need to brush up, the Appendix will take care bringing you up to speed. The book covers everything from history to the underlying concepts and structures. From the coding perspective, the text provides extensive Python code, a Jupyter Notebook, and links to the Qiskit libraries required to easily apply advanced functions. Finally, the last couple of chapters applies those concepts to improving materials research, bringing the theoretical into the physical world.Chapter 1 grounds you in the history, understanding all those who have contributed to building quantum mechanics. The most important part here is learning what builds a quantum number through the principal, angular, momentum, and spin properties. Next would be understanding the bra-ket notation which appears in most quantum calculations. Chapter 2 expands these basics by ensuring the reader understands basic properties tied to quantum mechanics.The next three chapters are the meat of the book, from building a quantum circuit, to using those applications to compute energy states and location for particles. Learning how to compute where those particles are plays a key role in chemical applications to determine exactly how specific atoms, as configured in the molecule, will interact with other features. Each section starts with the math and then works through the coding solution to help build your own applications. In each case, the models are demonstrated for a hydrogen atom and a lithium hydride molecule. These real-world applications bring the theoretical perspective needed to understand the subject.The final content chapter expands from those basic concepts to their application in material chemistry. The sample in this chapter shows how the numbers can be used to calculate a protein reaction to the HIV virus. Content looks at calculations from the beyond the Born-Oppenheimer perspective which enables the change from a continuous projection of probability to the discrete units needed for physical applications. Also referenced is the MIT library with fermion state pairs, providing details on discrete items, and a foundation for the future. The authors clearly know where quantum computing will help chemical research, and chart a specific path to reach those goals.Overall, this was a great book. I love learning about quantum, and although some of the topics were a refresher, the application was outstanding. The topics build in an easy-to-follow fashion and the appendix helped with missing math concepts. The python code and qiskit libraries were excellent in finding the right shortcuts to implement skills. The authors mentioned they have another book forthcoming and I eagerly await the next volume to continue my learning.
Amazon Verified review Amazon
David O. Jun 23, 2022
Full star icon Full star icon Full star icon Full star icon Full star icon 5
This is an excellent pedagogical introduction to the both quantum chemistry and quantumcomputing. It would serve as a perfect starting point for anybody interested in learning theskills required to begin doing practical applications of quantum computing to quantumchemistry, whether as a textbook for an academic course, or for researchers doingindependent study. The level of background knowledge is exactly appropriate for physicalscientists who are not yet specialists in this field but may wish to become so. Targeting anadvanced undergraduate to beginning graduate level in chemistry or physics, Sharkey andChancé have managed to strike a near perfect balance between presenting a clear theoreticalexplication of the underlying quantum mechanics and quantum chemistry, and providinghands-on worked examples of the quantum computations using Python and Qiskit code. Allsteps necessary to install and run the required (open source) software is shown explicitly, aswell as several example calculations which may be executed by the user to illustrate theconcepts. The theory is presented clearly and succinctly, and clear examples are provided toillustrate all the concepts. At this stage in the young history of quantum computing, it is noteasy to find so clear an introduction to the concept for those not already experts. - Michael Rogers, Ph.D.
Amazon Verified review Amazon
He Nan Jul 28, 2022
Full star icon Full star icon Full star icon Full star icon Full star icon 5
This book is easy to read and requires less background knowledge to start. I would recommend it to undergrads interested in this area.If you follow the chapters, understand VQE, and successfully run computations on systems like H2, you will already be well prepared to explore many of the QCQC research papers and recent developments.Unlike regular textbooks, the author puts a lot of effort into implementation, examples, and numbers, making it read more like a Jupyter notebook, which makes it easy to follow if you put your hands on it.
Amazon Verified review Amazon
James L. Weaver Jun 13, 2022
Full star icon Full star icon Full star icon Full star icon Full star icon 5
As a quantum application developer for several years in domains other than chemistry, I'm excited about learning from this book! There are a few foundational concepts necessary for a developer to write programs that model nature (as Feynman challenged us to do in the 1981), and an initial read of this book has convinced me that each of those concepts are covered well. The kicker for me is that the book leverages lots of code examples (written in Python and the Qiskit open source quantum computing framework) to demonstrate these concepts on quantum computers and simulators.
Amazon Verified review Amazon
Ayana Ghosh Oct 20, 2022
Full star icon Full star icon Full star icon Full star icon Full star icon 5
This book has the right mix of explanations of basic concepts along with implementations with several Python-based packages. Easy to read and follow. This is a nice starting guide for the field that also provides hands-on applications of the concepts.I'll highly recommend this book to beginners to professionals, interested in the field of quantum computing and quantum chemistry.
Amazon Verified review Amazon
Get free access to Packt library with over 7500+ books and video courses for 7 days!
Start Free Trial

FAQs

How do I buy and download an eBook? Chevron down icon Chevron up icon

Where there is an eBook version of a title available, you can buy it from the book details for that title. Add either the standalone eBook or the eBook and print book bundle to your shopping cart. Your eBook will show in your cart as a product on its own. After completing checkout and payment in the normal way, you will receive your receipt on the screen containing a link to a personalised PDF download file. This link will remain active for 30 days. You can download backup copies of the file by logging in to your account at any time.

If you already have Adobe reader installed, then clicking on the link will download and open the PDF file directly. If you don't, then save the PDF file on your machine and download the Reader to view it.

Please Note: Packt eBooks are non-returnable and non-refundable.

Packt eBook and Licensing When you buy an eBook from Packt Publishing, completing your purchase means you accept the terms of our licence agreement. Please read the full text of the agreement. In it we have tried to balance the need for the ebook to be usable for you the reader with our needs to protect the rights of us as Publishers and of our authors. In summary, the agreement says:

  • You may make copies of your eBook for your own use onto any machine
  • You may not pass copies of the eBook on to anyone else
How can I make a purchase on your website? Chevron down icon Chevron up icon

If you want to purchase a video course, eBook or Bundle (Print+eBook) please follow below steps:

  1. Register on our website using your email address and the password.
  2. Search for the title by name or ISBN using the search option.
  3. Select the title you want to purchase.
  4. Choose the format you wish to purchase the title in; if you order the Print Book, you get a free eBook copy of the same title. 
  5. Proceed with the checkout process (payment to be made using Credit Card, Debit Cart, or PayPal)
Where can I access support around an eBook? Chevron down icon Chevron up icon
  • If you experience a problem with using or installing Adobe Reader, the contact Adobe directly.
  • To view the errata for the book, see www.packtpub.com/support and view the pages for the title you have.
  • To view your account details or to download a new copy of the book go to www.packtpub.com/account
  • To contact us directly if a problem is not resolved, use www.packtpub.com/contact-us
What eBook formats do Packt support? Chevron down icon Chevron up icon

Our eBooks are currently available in a variety of formats such as PDF and ePubs. In the future, this may well change with trends and development in technology, but please note that our PDFs are not Adobe eBook Reader format, which has greater restrictions on security.

You will need to use Adobe Reader v9 or later in order to read Packt's PDF eBooks.

What are the benefits of eBooks? Chevron down icon Chevron up icon
  • You can get the information you need immediately
  • You can easily take them with you on a laptop
  • You can download them an unlimited number of times
  • You can print them out
  • They are copy-paste enabled
  • They are searchable
  • There is no password protection
  • They are lower price than print
  • They save resources and space
What is an eBook? Chevron down icon Chevron up icon

Packt eBooks are a complete electronic version of the print edition, available in PDF and ePub formats. Every piece of content down to the page numbering is the same. Because we save the costs of printing and shipping the book to you, we are able to offer eBooks at a lower cost than print editions.

When you have purchased an eBook, simply login to your account and click on the link in Your Download Area. We recommend you saving the file to your hard drive before opening it.

For optimal viewing of our eBooks, we recommend you download and install the free Adobe Reader version 9.