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

1.5. A brief history of quantum computation

The first revolution was the formulation of the postulates in the early 1900s. Following the first revolution, in 1936, Alan Turing created a theoretical model for automatic machines, now called Turing machines, which laid the theoretical foundations of computer science. In 1980, Paul Benioff published a paper that described a quantum mechanical model of Turing machines [Benioff]. With this and the advancements in quantum chemistry, the foundations were in place for quantum computers.

The first time that quantum computation was discussed within the broader scientific community was when Richard Feynman gave a keynote lecture at a conference called the Physics of Computation held in May 1981 at Massachusetts Institute of Technology (MIT). This keynote lecture discussed harnessing quantum physics to build a quantum computer [Preskill_40y]. In May 2021, on the anniversary of the conference, IBM organized an event called QC40: Physics of Computation...