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

7.1. Quantum computing

The initial quantum circuit model of computation as a time-ordered sequence of logical quantum gates performing a unitary evolution of the state of a quantum register has evolved into a tightly integrated model of dynamic quantum circuits that allow concurrent classical processing of mid-circuit measurement results [Corcoles] [IBM_mid]. This new paradigm of dynamic quantum computation paves the way to a smooth transition from classical to quantum-boosted computing.

An often-overlooked potential quantum advantage is the energy efficiency of quantum computation [Auffeves] [Q Daily] [Quantum_AI] [Thibault]. The quantum supremacy experiment [Arute] involved an energy consumption three orders of magnitude smaller than the one a high-performance computer would require to achieve an exact computation of the expected result of the experiment. Determining the conditions under which an energetic quantum advantage could be achieved is an open research topic [Auffeves...