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

[Micr_Algebra] Linear algebra, QuantumKatas/tutorials/LinearAlgebra/: https://github.com/microsoft/QuantumKatas/tree/main/tutorials/LinearAlgebra

[Micr_Complex] Complex arithmetic, QuantumKatas/tutorials/ComplexArithmetic/: https://github.com/microsoft/QuantumKatas/tree/main/tutorials/ComplexArithmetic

[NumPy] NumPy: the absolute basics for beginners: https://numpy.org/doc/stable/user/absolute_beginners.html

[Qiskit] Qiskit: https://qiskit.org/

[Qiskit_Alg] Linear Algebra, Qiskit: https://qiskit.org/textbook/ch-appendix/linear_algebra.html

[SymPy] SymPy, A Python library for symbolic mathematics: https://www.sympy.org/en/index.html