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

References

[ChemChiral] 5.1 Chiral Molecules, Chemistry LibreTexts, 5 Jul 2015, https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Map%3A_Organic_Chemistry_(Vollhardt_and_Schore)/05._Stereoisomers/5.1%3A_Chiral__Molecules

[Corcoles] A. D. Córcoles, Maika Takita, Ken Inoue, Scott Lekuch, Zlatko K. Minev, Jerry M. Chow, and Jay M. Gambetta, Exploiting Dynamic Quantum Circuits in a Quantum Algorithm with Superconducting Qubits, Phys. Rev. Lett. 127, 100501, 31 August 2021, https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.127.100501

[Crockett] Christopher Crockett, Superpositions of Chiral Molecules, September 14, 2021, Physics 14, s108, https://physics.aps.org/articles/v14/s108

[Gard] Gard, B.T., Zhu, L., Barron, G.S. et al., Efficient symmetry-preserving state preparation circuits for the variational quantum eigensolver algorithm, npj Quantum Inf 6, 10 (2020), https://doi.org/10.1038/s41534-019-0240-1

[Grok] Grok the Bloch Sphere, https://javafxpert.github...