Quantum Chemistry and Computing for the Curious

Quantum Chemistry and Computing for the Curious

eBook Details:

  • Paperback: 354 pages
  • Publisher: WOW! eBook (May 20, 2022)
  • Language: English
  • ISBN-10: 1803243902
  • ISBN-13: 978-1803243900

eBook Description:

Quantum Chemistry and Computing for the Curious: Acquire knowledge of quantum chemistry concepts, the postulates of quantum mechanics, and the foundations of quantum computing, and execute illustrations made with Python code, Qiskit, and open-source quantum chemistry packages

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.

  • Understand mathematical properties of the building blocks of matter
  • Run through the principles of quantum mechanics with illustrations
  • Design quantum gate circuit computations
  • Program in open-source chemistry software packages such as Qiskit
  • Execute state-of-the-art-chemistry calculations and simulations
  • Run companion Jupyter notebooks on the cloud with just a web browser
  • Explain standard approximations in chemical simulations

With this Quantum Chemistry and Computing for the Curious book 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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