#### Quantum Chemistry and Computing for the Curious

##### By :

#### Quantum Chemistry and Computing for the Curious

##### By:

#### 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)

Preface

Chapter 1: Introducing Quantum Concepts

Free Chapter

Chapter 2: Postulates of Quantum Mechanics

Chapter 3: Quantum Circuit Model of Computation

Chapter 4: Molecular Hamiltonians

Chapter 5: Variational Quantum Eigensolver (VQE) Algorithm

Chapter 6: Beyond Born-Oppenheimer

Chapter 7: Conclusion

Chapter 8: References

Chapter 9:Glossary

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Appendix A: Readying Mathematical Concepts

Appendix B: Leveraging Jupyter Notebooks on the Cloud

Appendix C: Trademarks

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