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)
8
Chapter 8: References
9
Chapter 9:Glossary
Appendix B: Leveraging Jupyter Notebooks on the Cloud
Appendix C: Trademarks

3.3. Computation-driven interference

In this section, we introduce the process of a generic quantum computation in Section 3.3.1, Quantum computation process. Then we give an example of a simulation inspired by a chemical experiment in Section 3.3.2, Simulating interferometric sensing of a quantum superposition of left- and right-handed enantiomer states. In chemistry, molecules or ions that are mirror images of each other are called enantiomers or optical isomers. If these images are non-superimposable, they are called chiral molecules [ChemChiral] and they differ in their ability to rotate plane polarized light either to the left or to the right [Wonders]. Researchers have proposed an experiment to prepare a quantum superposition of left- and right-handed states of enantiomers and to perform interferometric sensing of chirality-dependent forces [Stickler].

3.3.1. Quantum computation process

Quantum computing uses interference and the quantum physical phenomena of superposition...