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
$12.99 per month
Full star icon Full star icon Full star icon Full star icon Half star icon 4.8 (15 Ratings)
Paperback 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
$12.99 per month
Full star icon Full star icon Full star icon Full star icon Half star icon 4.8 (15 Ratings)
Paperback 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 a Packt Subscription?

Free for first 7 days. $15.99 p/m after that. Cancel any time!
Product feature icon Unlimited ad-free access to the largest independent learning library in tech. Access this title and thousands more!
Product feature icon 50+ new titles added per month, including many first-to-market concepts and exclusive early access to books as they are being written.
Product feature icon Innovative learning tools, including AI book assistants, code context explainers, and text-to-speech.
Product feature icon Thousands of reference materials covering every tech concept you need to stay up to date.
Subscribe now
View plans & pricing

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 : 9781803243900
Category :
Languages :
Tools :

What do you get with a Packt Subscription?

Free for first 7 days. $15.99 p/m after that. Cancel any time!
Product feature icon Unlimited ad-free access to the largest independent learning library in tech. Access this title and thousands more!
Product feature icon 50+ new titles added per month, including many first-to-market concepts and exclusive early access to books as they are being written.
Product feature icon Innovative learning tools, including AI book assistants, code context explainers, and text-to-speech.
Product feature icon Thousands of reference materials covering every tech concept you need to stay up to date.
Subscribe now
View plans & pricing

Product Details

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

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

What is included in a Packt subscription? Chevron down icon Chevron up icon

A subscription provides you with full access to view all Packt and licnesed content online, this includes exclusive access to Early Access titles. Depending on the tier chosen you can also earn credits and discounts to use for owning content

How can I cancel my subscription? Chevron down icon Chevron up icon

To cancel your subscription with us simply go to the account page - found in the top right of the page or at https://subscription.packtpub.com/my-account/subscription - From here you will see the ‘cancel subscription’ button in the grey box with your subscription information in.

What are credits? Chevron down icon Chevron up icon

Credits can be earned from reading 40 section of any title within the payment cycle - a month starting from the day of subscription payment. You also earn a Credit every month if you subscribe to our annual or 18 month plans. Credits can be used to buy books DRM free, the same way that you would pay for a book. Your credits can be found in the subscription homepage - subscription.packtpub.com - clicking on ‘the my’ library dropdown and selecting ‘credits’.

What happens if an Early Access Course is cancelled? Chevron down icon Chevron up icon

Projects are rarely cancelled, but sometimes it's unavoidable. If an Early Access course is cancelled or excessively delayed, you can exchange your purchase for another course. For further details, please contact us here.

Where can I send feedback about an Early Access title? Chevron down icon Chevron up icon

If you have any feedback about the product you're reading, or Early Access in general, then please fill out a contact form here and we'll make sure the feedback gets to the right team. 

Can I download the code files for Early Access titles? Chevron down icon Chevron up icon

We try to ensure that all books in Early Access have code available to use, download, and fork on GitHub. This helps us be more agile in the development of the book, and helps keep the often changing code base of new versions and new technologies as up to date as possible. Unfortunately, however, there will be rare cases when it is not possible for us to have downloadable code samples available until publication.

When we publish the book, the code files will also be available to download from the Packt website.

How accurate is the publication date? Chevron down icon Chevron up icon

The publication date is as accurate as we can be at any point in the project. Unfortunately, delays can happen. Often those delays are out of our control, such as changes to the technology code base or delays in the tech release. We do our best to give you an accurate estimate of the publication date at any given time, and as more chapters are delivered, the more accurate the delivery date will become.

How will I know when new chapters are ready? Chevron down icon Chevron up icon

We'll let you know every time there has been an update to a course that you've bought in Early Access. You'll get an email to let you know there has been a new chapter, or a change to a previous chapter. The new chapters are automatically added to your account, so you can also check back there any time you're ready and download or read them online.

I am a Packt subscriber, do I get Early Access? Chevron down icon Chevron up icon

Yes, all Early Access content is fully available through your subscription. You will need to have a paid for or active trial subscription in order to access all titles.

How is Early Access delivered? Chevron down icon Chevron up icon

Early Access is currently only available as a PDF or through our online reader. As we make changes or add new chapters, the files in your Packt account will be updated so you can download them again or view them online immediately.

How do I buy Early Access content? Chevron down icon Chevron up icon

Early Access is a way of us getting our content to you quicker, but the method of buying the Early Access course is still the same. Just find the course you want to buy, go through the check-out steps, and you’ll get a confirmation email from us with information and a link to the relevant Early Access courses.

What is Early Access? Chevron down icon Chevron up icon

Keeping up to date with the latest technology is difficult; new versions, new frameworks, new techniques. This feature gives you a head-start to our content, as it's being created. With Early Access you'll receive each chapter as it's written, and get regular updates throughout the product's development, as well as the final course as soon as it's ready.We created Early Access as a means of giving you the information you need, as soon as it's available. As we go through the process of developing a course, 99% of it can be ready but we can't publish until that last 1% falls in to place. Early Access helps to unlock the potential of our content early, to help you start your learning when you need it most. You not only get access to every chapter as it's delivered, edited, and updated, but you'll also get the finalized, DRM-free product to download in any format you want when it's published. As a member of Packt, you'll also be eligible for our exclusive offers, including a free course every day, and discounts on new and popular titles.