Book Image

Quantum Chemistry and Computing for the Curious

By : Alex Khan, Keeper L. Sharkey, Alain Chancé
Book Image

Quantum Chemistry and Computing for the Curious

By: Alex Khan, Keeper L. Sharkey, Alain Chancé

Overview of this book

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
Table of Contents (14 chapters)
Chapter 8: References
Chapter 9:Glossary
Appendix B: Leveraging Jupyter Notebooks on the Cloud
Appendix C: Trademarks

Readers we target

All kinds of readers are welcome. However, the people who will benefit the most are those interested in chemistry and computer science at the early stages of learning; advanced high school and early college students, or professionals wanting to acquire a background in quantum chemistry as it relates to computing, both from an algorithm and hardware standpoint. We also summarize useful mathematics and calculus as it relates to solving chemistry problems. The topics will appeal to people of various industry verticals who are interested in a career in quantum computational chemistry and computing.

You will be at the forefront of exciting state-of-the-art opportunities to expand your ideas and start experimenting with your simulations.