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Quantum Chemistry and Computing for the Curious. Illustrated with Python and Qiskit® code
Keeper L. Sharkey, Alain Chancé, Alex Khan
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EBOOK
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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
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
- 1. Introduction
- 2. Postulates of quantum mechanics
- 3. Quantum circuit model of computation
- 4. Molecular Hamiltonians
- 5. Variational Quantum Eigensolver (VQE) algorithm
- 6. Beyond Born-Oppenheimer
- 7. Conclusion
- 8. References
- 9. Glossary
- Tytuł:Quantum Chemistry and Computing for the Curious. Illustrated with Python and Qiskit® code
- Autor:Keeper L. Sharkey, Alain Chancé, Alex Khan
- Tytuł oryginału:Quantum Chemistry and Computing for the Curious. Illustrated with Python and Qiskit® code
- ISBN:9781803238593, 9781803238593
- Data wydania:2022-05-20
- Format:Ebook
- Identyfikator pozycji: e_2wxu
- Wydawca: Packt Publishing
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