Alex Khan, Keeper L. Sharkey, Alain Chancé

Quantum Chemistry and Computing for the Curious (eBook, ePUB)

Illustrated with Python and Qiskit® code

• Format: ePub

Produktbeschreibung

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

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Produktdetails

• Verlag: Packt Publishing
• Seitenzahl: 354
• Erscheinungstermin: 20. Mai 2022
• Englisch
• ISBN-13: 9781803238593
• Artikelnr.: 70225248